Publications by authors named "Chandan Shivamallu"

21 Publications

  • Page 1 of 1

A systematic review and -analysis on the prevalence of infectious diseases of Duck: A world perspective.

Saudi J Biol Sci 2021 Sep 24;28(9):5131-5144. Epub 2021 May 24.

Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru, Karnataka 570 026, India.

The Indian poultry industry is one of the fast-growing sectors of which duck farming plays an important role. Duck population in India is 33.51 million that is concentrated towards north-east and southern parts of the country who rears mainly for eggs and meat. Duck diseases are of great concern as they badly affect the financial status of the small, landless farmers. Databases such as Google Scholar, PubMed, J gate were used to search articles between 2000 and 2019 that showed the prevalence of viral, bacterial, and parasitic duck diseases. R open source software was used to derive forest plots by statistical analysis. Pooled prevalence estimates of duck diseases worldwide was found to be 20% (95%-CI:15-26). Also, continent-wise analysis of all duck diseases has revealed highest prevalence in North America, followed by Asia, Africa, Europe,Oceania and South America. This prevalence of data would be helpful to the policymakers to develop appropriate intervention strategies to prevent and control diseases in their respective locations.
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http://dx.doi.org/10.1016/j.sjbs.2021.05.034DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8381006PMC
September 2021

Assessment of Chemopreventive Potential of the Plant Extracts against Liver Cancer Using HepG2 Cell Line.

Molecules 2021 Jul 29;26(15). Epub 2021 Jul 29.

Division of Molecular Biology, Faculty of Life Science, JSS Academy of Higher Education & Research, Mysuru 570015, India.

The edible parts of the plants , and were extensively used in ancient practices such as Ayurveda, owing to their potent biomedical significance. They are very rich in secondary metabolites such as polyphenols, which are very good antioxidants and exhibit anti-carcinogenic properties. This study aims to evaluate the anti-cancerous properties of these plant crude extracts on human liver cancer HepG2 cells. The leaves of , and the seeds of were collected and methanolic extracts were prepared. Then, these extracts were subjected to DPPH, α- amylase assays to determine the antioxidant properties. A MTT assay was performed to investigate the viability of the extracts of HepG2 cells, and the mode of cell death was detected by Ao/EtBr staining and flow cytometry with PI Annexin- V FITC dual staining. Then, the protein expression of BAX and BCl2 was studied using fluorescent dye to determine the regulation of the BAX and BCl2 genes. We observed that all the three extracts showed the presence of bioactive compounds such as polyphenols or phytochemicals. The bioactive compounds were found to have the highest anti-proliferative activity on human liver cancer cells.
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http://dx.doi.org/10.3390/molecules26154593DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8348645PMC
July 2021

Biosorption of oxybenzene using biosorbent prepared by raw wastes of and comparative study by using commercially available activated carbon.

Saudi J Biol Sci 2021 Jun 17;28(6):3469-3476. Epub 2021 Mar 17.

Department of Biotechnology, SJCE, JSS Science and Technology University, Mysore 570006, India.

Organic pollutants present in waste water have undesirable effect on the environment. Industry activities are the key sources of organic pollutants. Prime pollutants released from various sources react instantly with the environment and become derived (secondary) pollutants, which stay for an elongated time. The present research work has been carried out using biosorbent prepared from various wastes for elimination of oxybenzene. Different parameters viz contact time, initial concentration; adsorbent dose, temperature and pH were optimized for the biosorption of oxybenzene on to the biosorbent samples. BCS (Baby corn silk) showed higher percentage of biosorption at optimum contact time of 3 h, pH between 5 and 6 and temperature at 25 °C. Analysis of equilibrium biosorption data in terms of several isotherm models revealed that Langmuir isotherm and Freundlich isotherm indicates better agreement with the experimental data. The kinetics of oxybenzene biosorption on to the biosorbents was described with the pseudo-first-order model. Thermodynamic parameters indicated that biosorption onto biosorbent was feasible in nature, spontaneous, and endothermic for some biosorbents, but on contrary not feasible, exothermic and non spontaneous for other biosorbents. The result of this study showed that the biosorbent derived from can be used as a prospective biosorbent for oxybenzene in wastewater and also can be an alternative for the commercially activated carbon.
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http://dx.doi.org/10.1016/j.sjbs.2021.03.012DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8176127PMC
June 2021

Investigation of Antifungal Properties of Synthetic Dimethyl-4-Bromo-1-(Substituted Benzoyl) Pyrrolo[1,2-a] Quinoline-2,3-Dicarboxylates Analogues: Molecular Docking Studies and Conceptual DFT-Based Chemical Reactivity Descriptors and Pharmacokinetics Evaluation.

Molecules 2021 May 6;26(9). Epub 2021 May 6.

Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigación en Materiales Avanzados, Chihuahua, Chih 31136, Mexico.

, an opportunistic fungal pathogen, frequently colonizes immune-compromised patients and causes mild to severe systemic reactions. Only few antifungal drugs are currently in use for therapeutic treatment. However, evolution of a drug-resistant fungal pathogen is of major concern in the treatment of patients, hence the clinical need for novel drug design and development. In this study, in vitro of novel putative pyrrolo[1,2-a]quinoline derivatives as the lead drug targets and in silico prediction of the binding potential of these lead molecules against pathogenic proteins, such as secreted aspartic protease 3 (SAP3; 2H6T), surface protein β-glucanase (3N9K) and sterol 14-alpha demethylase (5TZ1), were carried out by molecular docking analyses. Further, biological activity-based QSAR and theoretical pharmacokinetic analysis were analyzed. Here, in vitro screening of novel analogue derivatives as drug targets against showed inhibitory potential in the concentration of 0.4 µg for BQ-06, 07 and 08, 0.8 µg for BQ-01, 03, and 05, 1.6 µg for BQ-04 and 12.5 µg for BQ-02 in comparison to the standard antifungal drug fluconazole in the concentration of 30 µg. Further, in silico analysis of BQ-01, 03, 05 and 07 analogues docked on chimeric 2H6T, 3N9K and 5TZ1 revealed that these analogues show potential binding affinity, which is different from the therapeutic antifungal drug fluconazole. In addition, these molecules possess good drug-like properties based on the determination of conceptual Density Functional Theory (DFT)-based descriptors, QSAR and pharmacokinetics. Thus, the study offers significant insight into employing pyrrolo[1,2-a]quinoline analogues as novel antifungal agents against that warrants further investigation.
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http://dx.doi.org/10.3390/molecules26092722DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8124935PMC
May 2021

A systematic review on ethnopharmacology, phytochemistry and pharmacological aspects of Linn.

Heliyon 2021 May 18;7(5):e07054. Epub 2021 May 18.

Departments of Clinical Sciences, Kansas State University, Manhattan, KS, 66506-5606, USA.

Linn. is a medicinal and culinary herb from the Southern European region known for its anti-infective, cardioprotective, gastroprotective, anti-inflammatory, and immunomodulatory activities since the Egyptian era. The reported pharmacological activities of L. include antibacterial, antioxidant, anti-inflammatory, antiviral, and anti-cancerous activities. In this review, a comprehensive approach is put forth to scrutinize and report the available data on phytochemistry, ethnopharmacology, pharmacology, and toxicology of the plant. The different extracts and essential oil obtained from the plant have been assessed and reported to treat ailments like microbial infections, inflammation, non-communicable diseases like cancer, and sexually transmitted diseases like HIV-1 and Herpes. The literature review has also indicated the use of volatile oils, phenolic acids, terpenoids, flavonoids, saponins, steroids, tannins, alkaloids, and polysaccharides in pharmacotherapy. Applications of these compounds including antidiabetic, anti-Alzheimer's, cardio, neuro and hepatoprotective, anti-osteoporosis, sedative, immunomodulatory, antioxidant, anti-tyrosinase, antispasmodic, antinociceptive, gastroprotective, anticonvulsant, antihypertensive, antidepressant, anti-amnesia, and anti-helminthic activities have been mentioned. Further, based on research gaps, recommendations have been provided to evaluate L. systematically to develop plant-based drugs, nutraceuticals, and to evaluate their clinical efficiency and safety.
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http://dx.doi.org/10.1016/j.heliyon.2021.e07054DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8141878PMC
May 2021

Bioactive Compounds Effective Against Type 2 Diabetes Mellitus: A Systematic Review.

Curr Top Med Chem 2021 ;21(12):1067-1095

Department of Biochemistry, Faculty of Natural Sciences, Chukwuemeka Odumegwu Ojukwu University, Uli Campus, Anambra State -431124, Nigeria.

Background: Type 2 diabetes (adult onset diabetes) is the most common type of diabetes, accounting for around 90% of all diabetes cases with insulin resistance and insulin secretion defect. The key goal of anti-diabetic therapy is to increase the development of insulin, immunity and/or decrease the amount of blood glucose. While many synthetic compounds have been produced as antidiabetic agents, due to their side effects and limited effectiveness, their usefulness has been hindered.

Methods: This systematic review investigated the bioactive compounds reported to possess activities against type 2 diabetes. Three (3) databases, PubMed, ScienceDirect and Google Scholar were searched for research articles published between January 2010 and October 2020. A total of 6464 articles were identified out of which 84 articles were identified to be elligible for the study.

Result And Discussion: From the data extracted, it was found that quercetin, Kaempferol, Rosmarinic acid, Cyanidin, Rutin, Catechin, Luteolin and Ellagic acid were the most cited bioactive compounds which all falls within the class of polyphenolic compounds. The major sources of these bioactive compounds includes citrus fruits, grapes, onions, berries, cherries, broccoli, honey, apples, green tea, Ginkgo biloba, St. John's wort, green beans, cucumber, spinach, tea, Rosmarinus officinalis, Aloe vera, Moringa oleifera, tomatoes, potatoes, oregano, lemon balm, thyme, peppermint, Ocimum basilicum, red cabbage, pears, olive oil and walnut.
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http://dx.doi.org/10.2174/1568026621666210509161059DOI Listing
January 2021

Biogenic Synthesis of NiO Nanoparticles Using Leaf Extract and Their Antidiabetic and Cytotoxic Effects.

Molecules 2021 Apr 22;26(9). Epub 2021 Apr 22.

Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru 570 026, Karnataka, India.

Nanoworld is an attractive sphere with the potential to explore novel nanomaterials with valuable applications in medicinal science. Herein, we report an efficient and ecofriendly approach for the synthesis of Nickel oxide nanoparticles (NiO NPs) via a solution combustion method using leaf extract. As-prepared NiO NPs were characterized using various analytical tools such as powder X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV-Visible spectroscopy (UV-Vis). XRD analysis illustrates that synthesized NiO NPs are hexagonal structured crystallites with an average size of 5.46 nm and a hexagonal-shaped morphology with slight agglomeration. The morphology, size, and shape of the obtained material was further confirmed using SEM and TEM analysis. In addition, as-prepared NiO NPs have shown potential antidiabetic and anticancer properties. Our results suggest that the inhibition of α-amylase enzyme with IC 50 value 268.13 µg/mL may be one of the feasible ways through which the NiO NPs exert their hypoglycemic effect. Furthermore, cytotoxic activity performed using NiO NPs exhibited against human lung cancer cell line (A549) proved that the prepared NiO NPs have significant anticancer activity with 93.349 μg/mL at 50% inhibition concentration. The biological assay results revealed that NiO NPs exhibited significant cytotoxicity against human lung cancer cell line (A549) in a dose-dependent manner from 0-100 μg/mL, showing considerable cell viability. Further, the systematic approach deliberates the NiO NPs as a function of phenolic extracts of with vast potential for many biological and biomedical applications.
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http://dx.doi.org/10.3390/molecules26092448DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8122846PMC
April 2021

Luteolin-Fabricated ZnO Nanostructures Showed PLK-1 Mediated Anti-Breast Cancer Activity.

Biomolecules 2021 03 5;11(3). Epub 2021 Mar 5.

Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka 570 015, India.

The present work describes a facile and convenient procedure for synthesizing zinc oxide nanoparticles using luteolin isolated from plant (L-ZnONPs) at room temperature. The formation of as-grown L-ZnONPs was confirmed by X-ray diffraction analysis (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM), and selected area electron diffraction (SAED). The Wurtzite structure of ZnO was observed by its hexagonal phases in diffraction patterns. The SEM images revealed the different sizes and morphologies of L-ZnONPs, with diameters between 12 and 25 nm. The HR-TEM result showed that the inter-planar distance between two lattice fringes was 0.262 nm, which coincides with the d-spacing of (002) and (101) lattice planes of the as-obtained material. The anticancer activity of L-ZnONPs against the breast cancer cell line MCF-7 was greater as compared to that of luteolin or ZnO alone. The mechanistic evaluation of such an activity carried out using in silico methods suggested that the anti-breast cancer activity of L-ZnONPs was mediated by polo-like kinase 1 (PLK1) proteins.
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http://dx.doi.org/10.3390/biom11030385DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7998981PMC
March 2021

Antiviral and immunomodulatory activity of curcumin: A case for prophylactic therapy for COVID-19.

Heliyon 2021 Feb 22;7(2):e06350. Epub 2021 Feb 22.

Centre of Excellence in Nanoscience & Technology, Department of Pharmaceutics, JSS College of Pharmacy, JSS Academy of Higher Education & Research, Ooty, Nilgiris, Tamil Nadu, India.

Coronavirus disease-19 (COVID-19), a devastating respiratory illness caused by SARS-associated coronavirus-2 (SARS-CoV-2), has already affected over 64 million people and caused 1.48 million deaths, just 12 months from the first diagnosis. COVID-19 patients develop serious complications, including severe pneumonia, acute respiratory distress syndrome (ARDS), and or multiorgan failure due to exaggerated host immune response following infection. Currently, drugs that were effective against SARS-CoV are being repurposed for SARS-CoV-2. During this public health emergency, food nutraceuticals could be promising prophylactic therapeutics for COVID-19. Curcumin, a bioactive compound in turmeric, exerts diverse pharmacological activities and is widely used in foods and traditional medicines. This review presents several lines of evidence, which suggest curcumin as a promising prophylactic, therapeutic candidate for COVID-19. First, curcumin exerts antiviral activity against many types of enveloped viruses, including SARS-CoV-2, by multiple mechanisms: direct interaction with viral membrane proteins; disruption of the viral envelope; inhibition of viral proteases; induce host antiviral responses. Second, curcumin protects from lethal pneumonia and ARDS via targeting NF-κB, inflammasome, IL-6 trans signal, and HMGB1 pathways. Third, curcumin is safe and well-tolerated in both healthy and diseased human subjects. In conclusion, accumulated evidence indicates that curcumin may be a potential prophylactic therapeutic for COVID-19 in the clinic and public health settings.
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http://dx.doi.org/10.1016/j.heliyon.2021.e06350DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7899028PMC
February 2021

Bioremediation characteristics, influencing factors of dichlorodiphenyltrichloroethane (DDT) removal by using non-indigenous Paracoccus sp.

Chemosphere 2021 May 29;270:129474. Epub 2020 Dec 29.

Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia.

The marine bacterium able to consume DDT as the nutrient source was isolated from sea water which was identified as Paracoccus sp. DDT-21 based on 16 S rDNA gene sequence and Gram negative rod, obligate aerobic, non-motile biochemical characteristics. The isolate can degrade over 80% of the DDT, at a concentration of 50 mg/L in MSM in 72 h. Time and pollutant (DDT) dependent growth studies indicated that the isolate Paracoccus sp., DDT-21 significantly degrade the DDT and tolerates under DDT stress up to 50 mg/L. The DDT degradation capability of the strain Paracoccus sp. DDT-21 was found to be 5 ˃ 10 ˃ 15 ˃ 25 ˃ 50 mg/L DDT. The high concentrations (75 and 100 mg/L) of DDT showed significant decrease in DDT degradation. The optimal DDT degradation (∼90.0%) was observed at 6 g/L of yeast extract, 6% of glucose in pH 7.0 at 35 °C with 72 h of incubation as constant. Furthermore, four metabolites were observed by GC-MS analysis such as, DDE, DDD, DDMU, and DDA. The obtained results indicate that the isolate Paracoccus sp. DDT-21 is a promising candidate for the removal and/or detoxification of DDT in the environment.
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http://dx.doi.org/10.1016/j.chemosphere.2020.129474DOI Listing
May 2021

evaluation of flavonoids as effective antiviral agents on the spike glycoprotein of SARS-CoV-2.

Saudi J Biol Sci 2021 Jan 17;28(1):1040-1051. Epub 2020 Nov 17.

Department of Sciences, Amrita School of Arts and Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru, Karnataka 570 026, India.

The novel coronavirus pandemic has spread over in 213 countries as of July 2020. Approximately 12 million people have been infected so far according to the reports from World Health Organization (WHO). Preventive measures are being taken globally to avoid the rapid spread of virus. In the current study, an approach is carried out as a means of inhibiting the spike protein of the novel coronavirus by flavonoids from natural sources that possess both antiviral and anti-inflammatory properties. The methodology is focused on molecular docking of 10 flavonoid compounds that are docked with the spike protein of SARS-CoV-2, to determine the highest binding affinity at the binding site. Molecular dynamics simulation was carried out with the flavonoid-protein complex showing the highest binding affinity and highest interactions. The flavonoid naringin showed the least binding energy of -9.8 Kcal/mol with the spike protein which was compared with the standard drug, dexamethasone which is being repurposed to treat critically ill patients. MD simulation was carried out on naringin-spike protein complex for their conformational stability in the active site of the novel coronavirus spike protein. The RMSD of the complex appeared to be more stable when compared to that of the protein from 0.2 nm to 0.4 nm. With the aid of this approach further studies can be carried out on these flavonoids against the novel coronavirus as a means of viral protein inhibitors.
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http://dx.doi.org/10.1016/j.sjbs.2020.11.049DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7783825PMC
January 2021

Alzheimer's Disease and Herbal Combination Therapy: A Comprehensive Review.

J Alzheimers Dis Rep 2020 Oct 24;4(1):417-429. Epub 2020 Oct 24.

Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka, India.

Alzheimer's disease (AD) was first described in 1907 and got its name after Alois Alzheimer, a German psychiatrist and neuropathologist. This disease starts slow, increasing gradually to worsen in the due course of time. AD is mainly characterized by the associated dementia, which is a decline of cognitive effects such as memory, praxis, and orientation. The dementia is further highlighted by the presence of psychological and behavioral symptoms. Additionally, AD is also associated with the multiple interconnected pathways linked neuropathological changes such as the formation of neurofibrillary tangles and amyloid-β plaques inside the brain. AD therapeutics have been of prime concern over the decades, resulting in the elucidation of promising therapeutic targets. The requirement of AD stage dependent optimized conditions has necessitated a combinatorial approach toward treatment. The priority in AD research has remained to develop disease-modifying and development-reducing drugs for treatment regimens followed during the early and later stages, respectively.
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http://dx.doi.org/10.3233/ADR-200228DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7683102PMC
October 2020

Phyto-Mediated Synthesis of Silver Nanoparticles Using Fruit Extract and Evaluation of Its Cytotoxic and Antimicrobial Potential.

Molecules 2020 Oct 30;25(21). Epub 2020 Oct 30.

Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka 570 015, India.

The increasing interest in developing potent non-toxic drugs in medicine is widening the opportunities for studying the usage of nanostructures in the treatment of various diseases. The present work reports a method for a facile and an eco-friendly synthesis of silver nanoparticles (AgNPs) using fruit extract (TCE). The obtained AgNPs was characterized by using different spectroscopic and microscopic techniques. The analysis of the results revealed that the as-obtained AgNPs have spherical morphology with an average diameter of 22 nm. Furthermore, the preliminary bioactivity evaluations revealed that the bio-conjugation of AgNPs, using TCE, significantly enhanced the antibacterial and anti-breast cancer potentials of the latter. The antibacterial activity of the as-prepared AgNPs showed that was more sensitive towards the AgNPs, followed by ; while, and showed comparatively minimal sensitivity toward the AgNPs. The IC values of TCE, AgNPs and TCE + AgNPs treatment of MCF-7 were found to be 17.53, 14.25 and 6.484 µg/mL, respectively. Therefore, it can be ascertained that the bio-conjugation may provide a headway with regard to the therapeutic employment of , upon mechanistically understanding the basis of observed antibacterial and anticancer activities.
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http://dx.doi.org/10.3390/molecules25215042DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7662631PMC
October 2020

Tumoricidal and Bactericidal Properties of ZnONPs Synthesized Using Leaf Extract.

Biomolecules 2020 06 30;10(7). Epub 2020 Jun 30.

Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru, Karnataka-570 015, India.

In this work, we aimed to synthesize zinc oxide nanoparticles (ZnONPs) using an aqueous extract of leaves (CAE) at room temperature without the provision of additional surfactants or capping agents. The formation of as-obtained ZnONPs was analyzed by UV-visible (ultraviolet) absorption and emission spectroscopy, X-ray photoemission spectroscopy (XPS), X-ray diffraction analysis (XRD), energy dispersive X-ray diffraction (EDX), thermogravimetric analysis/differential thermal analysis (TGA-DTA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and selected area electron diffraction (SAED). The XRD results reflect the wurtzite structure of as-prepared ZnONPs, which produced diffraction patterns showing hexagonal phases. The SEM images indicate that the morphology of as-prepared ZnONPs is composed of hexagonal nanostructures with an average diameter of 20 nm. The HR-TEM result shows that the inter-planar distance between two lattice fringes is 0.260 nm, which coincides with the distance between the adjacent (d-spacing) of the (002) lattice plane of ZnO. The fluorescence emission spectrum of ZnONPs dispersed in ethanol shows an emission maximum at 569 nm, revealing the semiconductor nature of ZnO. As-obtained ZnONPs enhanced the tumoricidal property of CAE in MCF-7 breast cancer cells without significant inhibition of normal human breast cells, MCF-12A. Furthermore, we have studied the antibacterial effects of ZnONPs, which showed direct cell surface contact, resulting in the disturbance of bacterial cell integrity.
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http://dx.doi.org/10.3390/biom10070982DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7407615PMC
June 2020

Tumoricidal Potential of Novel Amino-1,10-phenanthroline Derived Imine Ligands: Chemical Preparation, Structure, and Biological Investigations.

Molecules 2020 Jun 22;25(12). Epub 2020 Jun 22.

Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.

Herein we report the synthesis and structural elucidation of two novel imine-based ligands, 2-(1,10-phenanthrolin-5-yl)imino)methyl)-5-bromophenol (PIB) and -(1,10-phenanthrolin-5-yl)-1-(thiophen-3-yl)methanimine (PTM) ligands. An in vitro cytotoxicity assay of the synthesized molecules was carried out against breast, cervical, colorectal, and prostate cancer cell lines as well as immortalized human keratinocytes. The observations indicated that both the molecules possesses dose-dependent selective cytotoxicity of cancer cells with no detrimental effect on the normal cell lines. Furthermore, the detailed computational analysis of newly synthetized ligands (PIB and PTM) has been conducted in order to identify their most important parts from the perspective of local reactivity. The IC values of PIB treatment on MCF-7, HeLa, HCT-116 and PC-3 were 15.10, 16.25, 17.88, 17.55 and 23.86 micromoles, respectively. Meanwhile, the IC values of PTM on MCF-7, HeLa, HCT-116, PC-3 and HaCat were observed to be 14.82, 15.03, 17.88, 17.28 and 21.22 micromoles, respectively. For computational analysis, we have employed the combination of Density Functional Theory (DFT) calculations and MD simulations. DFT calculations provided us with information about structure and reactivity descriptors based on the electron distribution. Surfaces of molecular electrostatic potential (MEP) and averaged local ionization energy (ALIE) indicated the sites within studied molecules that are most reactive. These results indicated the importance of nitrogen atoms and OH group. Additionally, the values of bond dissociation for hydrogen abstraction showed that both molecules, especially the PTM, are stable toward the influence of autoxidation mechanism. On the other side, MD simulations gave us an insight how ligands interact with water molecules. Namely, the radial distribution functions (RDF) indicated that the hydrogen atom of the OH group in the case of the PIB has the most pronounced interactions with water.
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http://dx.doi.org/10.3390/molecules25122865DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7356530PMC
June 2020

Phyto anti-biofilm elicitors as potential inhibitors of .

3 Biotech 2019 Feb 25;9(2):53. Epub 2019 Jan 25.

Department of Water and Health Faculty of Life Sciences, JSS Academy of Higher Education & Research, Sri Shivarathreeshwara Nagara, Mysore, Karnataka 570 015 India.

() infection is a global public health concern. Due to its high adaptability in various adverse environments (temperature, pH, adhesion, phenotypic forms), targeting the bacterium is quite challenging. Moreover, due to its high persistence, decreased patience compliance and emerging antibiotic resistance, researchers have been forced to search for novel candidates with lesser or no side effects. Hence, in the current study, phytobioactives have been screened for its anti-biofilm attributes against . Gastric biopsy samples have been screened using confirmatory techniques (microbiological, biochemical and molecular) for their virulent and non-virulent biomarkers. Physico-nutritive parameters were standardized. biofilms were assessed using microtitre plate assay. Biofilms' biomass and exopolysaccharide have been evaluated using crystal violet and ruthenium red staining, respectively. Anti-biofilm screening was performed using potent aqueous phytochemicals namely and . The results indicated the confluent growth of the biofilms confirmed through genotyping and grew best at 37 °C for 72 h at a pH of 7.5 on polystyrene plates. Further, among the phytochemicals tested, exhibited the highest anti-biofilm activity via a dose-dependent pattern. The overall observations of the study will pave way for newer approaches to understand and combat bacterial pathogenesis and will contribute towards better health and hygiene.
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http://dx.doi.org/10.1007/s13205-019-1582-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6349266PMC
February 2019

Functionalized Silver Nano-Sensor for Colorimetric Detection of Hg Ions: Facile Synthesis and Docking Studies.

Sensors (Basel) 2018 Aug 16;18(8). Epub 2018 Aug 16.

Faculty of Life Sciences, Division of Biotechnology and Bioinformatics, JSS Academy of Higher Education and Research (JSSAHER), Mysuru 570 015, Karnataka, India.

In the present study, we describe the facile synthesis of silver nanoparticles (AgNPs) and their nanostructures functionalized with 2-aminopyrimidine-4,6-diol (APD-AgNPs) for Hg ion detection. The promising colorimetric response of APD-AgNPs to detect Hg ions was visible with naked eyes and spectroscopic changes were examined by using a UV-Visible spectrophotometer. The aggregation of APD-AgNPs upon addition of Hg ions was due to the chelation effect of the functionalized nanostructures and results in a color change from pale brown to deep yellow color. The probing sensitivity was observed within five minutes with a detection limit of about 0.35 µM/L. The TEM images of APD-AgNPs showed polydispersed morphologies with hexagonal, heptagonal and spherical nanostructures with an average size between 10 to 40 nm. Furthermore, the sensing behavior of APD-AgNPs towards Hg ions detection was investigated using docking and interaction studies.
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http://dx.doi.org/10.3390/s18082698DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6111407PMC
August 2018

Pseudo-peptides as novel antileptospiral agents: synthesis and spectral characterization.

Spectrochim Acta A Mol Biomol Spectrosc 2014 Jan 8;118:1152-7. Epub 2013 Oct 8.

Department of Studies in Biotechnology, University of Mysore, Manasagangotri, Mysore 570 006, Karnataka, India.

In this paper, we describe the synthesis of novel class of pseudo-peptides derived by coupling an amino acid with a heterocyclic moiety containing free amine group using suitable coupling agents. The synthesized compounds were characterized using spectral ((1)H NMR, (13)C NMR and MS) techniques. Preliminary pharmacological assays for Leptospirosis were studied by test tube dilution (TDT) and micro dilution technique (MDT). In particular, all the analyses led to the conclusion that the synthesized compound inhibiting the Leptospira a causal organism of Leptospirosis.
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http://dx.doi.org/10.1016/j.saa.2013.09.105DOI Listing
January 2014

Palladium(II) complexes as biologically potent metallo-drugs: synthesis, spectral characterization, DNA interaction studies and antibacterial activity.

Spectrochim Acta A Mol Biomol Spectrosc 2013 Apr 23;107:108-16. Epub 2013 Jan 23.

Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560 012, Karnataka, India.

Four novel mononuclear Pd(II) complexes have been synthesized with the biologically active Schiff base ligands (L1-L4) derived from 3-amino-2-methyl-4(3H)-quinazolinone. The structure of the complexes has been proposed by elemental analysis, molar conductance, IR, (1)H NMR, mass, UV-Vis spectrometric and thermal studies. The investigation of interaction of the complexes with calf thymus DNA (CT-DNA) has been performed with absorption and fluorescence spectroscopic studies. The nuclease activity was done using pUC19 supercoiled DNA by gel-electrophoresis. All the ligands and their Pd(II) complexes have also been screened for their antibacterial activity by discolor diffusion technique.
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http://dx.doi.org/10.1016/j.saa.2013.01.013DOI Listing
April 2013

Molecular detection of plant pathogenic bacteria using polymerase chain reaction single-strand conformation polymorphism.

Acta Biochim Biophys Sin (Shanghai) 2012 Mar 29;44(3):217-23. Epub 2012 Jan 29.

Department of Studies in Biotechnology, University of Mysore, India.

The application of polymerase chain reaction (PCR) technology to molecular diagnostics holds great promise for the early identification of agriculturally important plant pathogens. Ralstonia solanacearum, Xanthomoans axonopodis pv. vesicatoria, and Xanthomonas oryzae pv. oryzae are phytopathogenic bacteria, which can infect vegetables, cause severe yield loss. PCR-single-strand conformation polymorphism (PCR-SSCP) is a simple and powerful technique for identifying sequence changes in amplified DNA. The technique of PCR-SSCP is being exploited so far, only to detect and diagnose human bacterial pathogens in addition to plant pathogenic fungi. Selective media and serology are the commonly used methods for the detection of plant pathogens in infected plant materials. In this study, we developed PCR-SSCP technique to identify phytopathogenic bacteria. The PCR product was denatured and separated on a non-denaturing polyacrylamide gel. SSCP banding patterns were detected by silver staining of nucleic acids. We tested over 56 isolates of R. solanacearum, 44 isolates of X. axonopodis pv. vesicatoria, and 20 isolates of X. oryzae pv. oryzae. With the use of universal primer 16S rRNA, we could discriminate such species at the genus and species levels. Species-specific patterns were obtained for bacteria R. solanacearum, X. axonopodis pv. vesicatoria, and X. oryzae pv. oryzae. The potential use of PCR-SSCP technique for the detection and diagnosis of phytobacterial pathogens is discussed in the present paper.
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http://dx.doi.org/10.1093/abbs/gmr129DOI Listing
March 2012

Diorganotin(IV) complexes of biologically potent 4(3H)-quinazolinone derived Schiff bases: synthesis, spectroscopic characterization, DNA interaction studies and antimicrobial activity.

Spectrochim Acta A Mol Biomol Spectrosc 2011 Oct 22;81(1):276-82. Epub 2011 Jun 22.

Department of Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, Karnataka, India.

Four Schiff base ligands and their corresponding organotin(IV) complexes have been synthesized and characterized by elemental analyses, IR, (1)H NMR, MS and thermal studies. The Schiff bases are obtained by the condensation of 3-amino-2-methyl-4(3H)-quinazolinone with different substituted aldehydes. The elemental analysis data suggest the stoichiometry to be 1:1 ratio formation. Infrared spectral data agreed with the coordination to the central metal ion through imine nitrogen, lactam oxygen and deprotonated phenolic oxygen atoms. All the synthesized compounds have been evaluated for antimicrobial activity against selected species of microorganisms. In addition, DNA binding/cleavage capacity of the compounds was analyzed by absorption spectroscopy, viscosity measurements and gel electrophoresis methods.
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http://dx.doi.org/10.1016/j.saa.2011.06.010DOI Listing
October 2011
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