43,240 results match your criteria active compound


Pharmacological validation of Solanum mammosum L. as an anti-infective agent: Role of solamargine.

J Ethnopharmacol 2021 Jul 31:114473. Epub 2021 Jul 31.

Center for the Study of Human Health, Emory University, Atlanta, GA, United States; UMR 152 PharmaDev, Université de Toulouse, IRD, UPS, France. Electronic address:

Ethnopharmacological Relevance: Fungal and bacterial infections remain a major problem worldwide, requiring the development of effective therapeutic strategies. Solanum mammosum L. (Solanaceae) ("teta de vaca") is used in traditional medicine in Peru to treat fungal infections and respiratory disorders via topical application. Read More

View Article and Full-Text PDF

Metabolic Features of Ganjang (a Korean Traditional Soy Sauce) Fermentation Revealed by Genome-Centered Metatranscriptomics.

mSystems 2021 Aug 3:e0044121. Epub 2021 Aug 3.

Department of Life Science, Chung-Ang Universitygrid.254224.7, Seoul, Republic of Korea.

The taste and quality of soy sauce, a fermented liquid condiment popular worldwide, is greatly influenced by microbial metabolism during fermentation. To investigate the fermentative features of ganjang (a Korean traditional soy sauce), ganjang batches using meju (fermented soybean) bricks and solar salts were prepared, and organic compounds, microbial communities, metagenomes, and metatranscriptomes of ganjang were quantitively analyzed during fermentation. Polymeric compound analysis in the ganjang treated with/without microbial inhibitors revealed that indigenous enzymes of meju bricks might be primarily responsible for degrading polymeric compounds. Read More

View Article and Full-Text PDF

Homarine alkyl esters derivatives as new promising acetylcholinesterase inhibitors.

ChemMedChem 2021 Aug 2. Epub 2021 Aug 2.

REQUIMTE LAQV Porto, Laboratório de Farmacognosia, Faculdade de Farmácia da Universidade do Porto, Rua de Jorge Viterbo Ferreira nº. 228, 4050-313, Porto, PORTUGAL.

Reversible acetylcholinesterase (AChE) inhibitors are key therapeutic tools to modulate the cholinergic connectivity compromised in several degenerative pathologies. In this work, four new alkyl esters of homarine were synthesized and screened in Electrophorus electricus AChE and rat brain AChE-rich fraction. Results showed that all homarine alkyl esters are able to inhibit AChE by a competitive inhibition kinetic model. Read More

View Article and Full-Text PDF

Design, synthesis, docking, ADMET studies, and anticancer evaluation of new 3-methylquinoxaline derivatives as VEGFR-2 inhibitors and apoptosis inducers.

J Enzyme Inhib Med Chem 2021 Dec;36(1):1760-1782

Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt.

Vascular endothelial growth factor receptor-2 (VEGFR-2) plays a critical role in cancer angiogenesis. Inhibition of VEGFR-2 activity proved effective suppression of tumour propagation. Accordingly, two series of new 3-methylquinoxaline derivatives have been designed and synthesised as VEGFR-2 inhibitors. Read More

View Article and Full-Text PDF
December 2021

Discovery of new anticancer thiourea-azetidine hybrids: design, synthesis, in vitro antiproliferative, SAR, in silico molecular docking against VEGFR-2, ADMET, toxicity, and DFT studies.

Bioorg Chem 2021 Jul 27;115:105206. Epub 2021 Jul 27.

Department of Chemistry, Uka Tarsadia University, Maliba campus, Bardoli, Gujarat, India.

With the aim to discover potent and novel antitumor agents, a series of thiourea compounds bearing 3-(4-methoxyphenyl)azetidine moiety were designed according to the essential pharmacophoric features of the reported VEGFR-2 inhibitors and synthesized. All the synthesized compounds were evaluated for their in vitro anticancer activity against various human cancer cell lines (lung (A549), prostate (PC3), breast (MCF-7), liver (HepG2), colon (HCT-116), ovarian (SKOV-3), skin (A431), brain (U251) and kidney (786-O)). 3-(4-Methoxy-3-(2-methoxypyridin-4-yl)phenyl)-N-(4-methoxyphenyl)azetidine-1-carbothioamide (3B) was found to be most potent member against PC3, U251, A431, and 786-O cancer cell lines with EC values 0. Read More

View Article and Full-Text PDF

Reaction intermediate rotation during the decarboxylation of coproheme to heme b in C.diphtheriae.

Biophys J 2021 Jul 30. Epub 2021 Jul 30.

Dipartimento di Chimica "Ugo Schiff", Università di Firenze, Via della Lastruccia 3-13, I-50019 Sesto Fiorentino (FI), Italy; INSTM Research Unit of Firenze, via della Lastruccia 3, I-50019 Sesto Fiorentino, Italy.

Monoderm bacteria utilize coproheme decarboxylases (ChdCs) to generate heme b by a stepwise decarboxylation of two propionate groups of iron coproporphyrin III (coproheme) forming two vinyl groups. This work focuses on actinobacterial ChdC from Corynebacterium diphtheriae (CdChdC) to elucidate the hydrogen peroxide-mediated decarboxylation of coproheme via monovinyl mono-propionyl deuteroheme (MMD) to heme b, with the principal aim being to understand the reorientation mechanism of MMD during turnover. Wild-type (WT) CdChdC and variants, namely H118A, H118F and A207E, were studied by resonance Raman and UV-vis spectroscopy, mass spectrometry, and molecular dynamics simulations. Read More

View Article and Full-Text PDF

Intercalation/deintercalation of solvated Mg into/from graphite interlayers.

Phys Chem Chem Phys 2021 Aug 2. Epub 2021 Aug 2.

Department of Materials Chemistry, Faculty of Engineering, Shinshu University, 4-17-1 Wakasato, Nagano, 380-8553, Japan.

In the development of rechargeable Mg-ion batteries which are not limited by resource constraints, studies on negative electrode materials have been concentrated on efficient Mg-deposition/stripping rather than on insertion/extraction-type active materials, driven by the extremely high theoretical capacity of Mg metal (2205 mA h g-1). This work re-examined the potential of graphite, which is overlooked in electrochemical tests using a two-electrode type cell due to a large overpotential during sluggish Mg-deposition/stripping at the counter electrode caused by the passivation layer. The formation of a graphite intercalation compound (GIC) with a stage structure was demonstrated by the continual application of a constant current without considering the cut-off voltage to eliminate the detrimental impact of the counter electrode, although the intercalant was solvated Mg-ions. Read More

View Article and Full-Text PDF

A promising strategy for investigating the anti-aging effect of natural compounds: a case study of caffeoylquinic acids.

Food Funct 2021 Aug 2. Epub 2021 Aug 2.

Key Laboratory of Environment Correlative Dietology (Ministry of Education), College of Food Science and Technology, Huazhong Agricultural University, Wuhan 430070, People's Republic of China.

Caffeoylquinic acids, as plant-derived polyphenols, exhibit multiple biological activities such as antioxidant, anti-inflammatory, and neuroprotective activities. However, only limited information about their effect on longevity is available. In the current study, molecular docking was employed to explore the interactions between six representative caffeoylquinic acids and the insulin-like growth factor-1 receptor (IGFR), which is an important target protein for longevity. Read More

View Article and Full-Text PDF

Electrochemically Engineering Antimony Interspersed on Graphene toward Advanced Sodium-Storage Anodes.

Inorg Chem 2021 Aug 1. Epub 2021 Aug 1.

College of Chemistry and Chemical Engineering, State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, China.

Nanoengineering of metal anode materials shows great potential for energy storage with high capacity. Zero-dimensional nanoparticles are conducive to acquire remarkable electrochemical properties in sodium-ion batteries (SIBs) because of their enlarged surface active sites. However, it is still difficult to fulfill the requirements of practical applications in batteries owing to the deficiency of efficient and scalable preparation approaches of high-performance metal electrode materials. Read More

View Article and Full-Text PDF

Identification of steroidal saponins from Tribulus terrestris and their in silico docking studies.

J Cell Biochem 2021 Aug 1. Epub 2021 Aug 1.

Department of Biotechnology, Veer Narmad South Gujarat University, Surat, Gujarat, India.

Tribulus terrestris is known to possess many pharmacological properties, most notably its anticancer activities, owing to its rich steroidal saponin contents. Even though many reports are available elucidating the anticancer potential of the herb, we, for the very first time have attempted to isolate and identified the active compound present in seed crude saponin extract and confers its in silico docking ability with various cellular targets proteins. High performance thin layer chromatography confirms the presence of active saponins in leaf and seed saponin extracts which were further fractionated by silica gel column chromatography. Read More

View Article and Full-Text PDF

Persicaria strigosa (R.Br.) Nakai: a natural anthelmintic?

Parasitol Res 2021 Aug 2. Epub 2021 Aug 2.

Department of Zoology, Pharmacology and Bioinformatics Laboratory, Bodoland University, Kokrajhar, 783370, Assam, India.

Persicaria strigosa (R.Br.) Nakai. Read More

View Article and Full-Text PDF

A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.

JACS Au 2021 Jul 14;1(7):913-918. Epub 2021 May 14.

Department of Chemistry and Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, United Kingdom.

Nature employs high-energy metal-oxo intermediates embedded within enzyme active sites to perform challenging oxidative transformations with remarkable selectivity. Understanding how different local metal-oxo coordination environments control intermediate reactivity and catalytic function is a long-standing objective. However, conducting structure-activity relationships directly in active sites has proven challenging due to the limited range of amino acid substitutions achievable within the constraints of the genetic code. Read More

View Article and Full-Text PDF

Efficacy of a novel antimicrobial hydrogel for eradication of , and from preformed biofilm and treatment performance in an MRSA wound model.

JAC Antimicrob Resist 2021 Sep 29;3(3):dlab108. Epub 2021 Jul 29.

Department of Veterinary and Animal Sciences, Faculty of Health and Medical Sciences, University of Copenhagen, Copenhagen, Denmark.

Background: Bacterial biofilm formation is a complicating factor in the antimicrobial treatment of bacterial infections.

Objectives: In this study, we assessed the impact of a novel hydrogel with the active antimicrobial compound JBC 1847 on eradication of preformed biofilms of , and MRSA , and evaluated the efficacy of MRSA wound treatment.

Methods: Biofilms were exposed to JBC 1847 for 24 h and subsequently the treatments were neutralized and surviving biofilm-associated bacteria recovered and enumerated. Read More

View Article and Full-Text PDF
September 2021

MAPK and Notch-Mediated Effects of Meso-Xanthin F199 Compounds on Proliferative Activity and Apoptosis of Human Melanocytes in Three-Dimensional Culture.

Biomed Res Int 2021 20;2021:8463161. Epub 2021 Jul 20.

Institute of General Pathology and Pathophysiology, 8 Baltiyskaya Str., 125315 Moscow, Russia.

Meso-Xanthin (Meso-Xanthin F199™) is a highly active antiaging injection drug of the latest generation. The main acting compound is fucoxanthin, supplemented with several growth factors, vitamins, and hyaluronic acid. Previous examination of fucoxanthin on melanocytes showed its ability to inhibit skin pigmentation through different signaling pathways focused on suppression of melanogenic-stimulating receptors. Read More

View Article and Full-Text PDF

Molecular imaging of fibroblast activation protein after myocardial infarction using the novel radiotracer [Ga]MHLL1.

Theranostics 2021 22;11(16):7755-7766. Epub 2021 Jun 22.

Department of Nuclear Medicine, Hannover Medical School.

Myocardial infarction (MI) evokes an organized remodeling process characterized by the activation and transdifferentiation of quiescent cardiac fibroblasts to generate a stable collagen rich scar. Early fibroblast activation may be amenable to targeted therapy, but is challenging to identify . We aimed to non-invasively image active fibrosis by targeting the fibroblast activation protein (FAP) expressed by activated (myo)fibroblasts, using a novel positron emission tomography (PET) radioligand [Ga]MHLL1 after acute MI. Read More

View Article and Full-Text PDF

Exploring the Mechanism of Georgi Efficacy against Oral Squamous Cell Carcinoma Based on Network Pharmacology and Molecular Docking Analysis.

Evid Based Complement Alternat Med 2021 13;2021:5597586. Epub 2021 Jul 13.

Stomatology Hospital, Shanxi Medical University, Taiyuan 030001, China.

Background: Georgi (SBG) has been widely shown to induce apoptosis and inhibit invasion and migration of various cancer cells. Increased evidence shows that SBG may be useful to treat oral squamous cell carcinoma (OSCC). However, the biological activity and possible mechanisms of SBG in the treatment of OSCC have not been fully elucidated. Read More

View Article and Full-Text PDF

Filtration of Active Components with Antioxidant Activity Based on the Differing Antioxidant Abilities of and through UPLC/MS Coupling with Network Pharmacology.

Evid Based Complement Alternat Med 2021 21;2021:5547976. Epub 2021 Jul 21.

School of General Medicine and Continuing Education, Qiqihar Medical University, No. 333, Bukui Street, Qiqihar 161006, China.

This study attempted to filter active components with antioxidant activities based on the differing antioxidant abilities of () and (). First, the antioxidant activity of and was evaluated through the DPPH free radical scavenging method and compared with the half maximal inhibitory concentration (IC) value. Next, components of and were detected by employing ultrahigh-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry (UPLC-QEO/MS) technology, and differential compounds were screened out as potential antioxidant compounds by using Compound Discover 3. Read More

View Article and Full-Text PDF

[Synthetic Study of Polycyclic Natural Products Based on Development of New Strategy].

Authors:
Atsushi Nishida

Yakugaku Zasshi 2021 ;141(8):985-994

Graduate School of Pharmaceutical Sciences, Chiba University.

On the occasion of receiving the Pharmaceutical Society of Japan Award 2020, I explained our research activities on the total syntheses of polycyclic alkaloids as an invited review. The structure of lundurine B, which has an unstable cyclopropane fused indoline skeleton, was proved firstly by the total synthesis. I also describe the total syntheses of optically active lundurine B and rapidilectine B utilizing asymmetric desymmetrization of the spiro intermediate. Read More

View Article and Full-Text PDF
January 2021

Thiazolidinone-linked1,2,3-triazoles with monoterpenic skeleton as new potential anticancer agents: Design, synthesis and molecular docking studies.

Bioorg Chem 2021 Jul 20;115:105184. Epub 2021 Jul 20.

Laboratoire de Synthèse Organique et Physico-Chimie Moléculaire, Département de Chimie, Faculté des Sciences, Semlalia B.P 2390, Marrakech 40001, Morocco. Electronic address:

A novel series of 1,2,3-triazole-thiazolidinone-carvone hybrid compounds has been designed and synthesized using the copper-catalyzed Huisgen azide-alkyne 1,3-dipolar cycloaddition (CuAAC) process based on (R)-Carvone-O-propargylated 5-hydroxybenzylidene-thiazolidin-4-one derivative as starting material. All compounds were characterized and identified based on their NMR and HRMS spectroscopic data. HMBC correlations confirm that under the CuAAC reaction conditions, only the 1,4-disubstituted triazole regioisomers were formed. Read More

View Article and Full-Text PDF

Identification, characterization and evaluation of novel antifungal cyclic peptides from Neobacillus drentensis.

Bioorg Chem 2021 Jul 17;115:105180. Epub 2021 Jul 17.

Organic Synthesis and Process Chemistry Department, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500 007, India; School of Pharmaceutical Education and Research, Jamia Hamdard University, New Delhi 110 062, India. Electronic address:

Marine microbes secrete exopolymeric substances (EPS), which surrounds the biofilm and inhibits the fungal growth. Elucidation of the structure and function of the extracellular exopolymeric substances is of vital relevance therapeutically. The active compound responsible for bioactivity was purified and characterized using TLC, LC/MS/MS, GC/MS and FT-IR. Read More

View Article and Full-Text PDF

Discovery of 4-benzyloxy and 4-(2-phenylethoxy) chalcone fibrate hybrids as novel PPARα agonists with anti-hyperlipidemic and antioxidant activities: Design, synthesis and in vitro/in vivo biological evaluation.

Bioorg Chem 2021 Jul 16;115:105170. Epub 2021 Jul 16.

Chemistry of Natural and Microbial Products Department, Pharmaceutical and Drug Industries Research Division, National Research Centre, Dokki, Cairo 12622, Egypt. Electronic address:

In the current work, a series of novel 4-benzyloxy and 4-(2-phenylethoxy) chalcone fibrate hybrids (10a-o) and (11a-e) were synthesized and evaluated as new PPARα agonists in order to find new agents with higher activity and fewer side effects. The 2-propanoic acid derivative 10a and the 2-butanoic acid congener 10i showed the best overall PPARα agonistic activity showing E% values of 50.80 and 90. Read More

View Article and Full-Text PDF

The Effect of Curcumin Supplemsentation on Anthropometric Indices in Overweight and Obese Individuals: A Systematic Review of Randomized Controlled Trials.

Adv Exp Med Biol 2021 ;1291:121-137

Biotechnology Research Center, Pharmaceutical Technology Institute, Mashhad University of Medical Sciences, Mashhad, Iran.

Background: Curcumin is an active molecule present in turmeric and is the main therapeutic compound. There is growing evidence that curcumin could affect various anthropometric indices. We performed a systematic review to evaluate the efficacy of curcumin supplementation on anthropometric indices in obese and overweight individuals. Read More

View Article and Full-Text PDF

Carbon-based Nanomaterials and Curcumin: A Review of Biosensing Applications.

Adv Exp Med Biol 2021 ;1291:55-74

Neurogenic Inflammation Research Center, Mashhad University of Medical Sciences, Mashhad, Iran.

Curcumin, the main active constituent of turmeric (Curcuma longa L.), is a naturally occurring phenolic compound with a wide variety of pharmacological activities. Although it has multiple pharmaceutical properties, its bioavailability and industrial usage are hindered due to rapid hydrolysis and low water solubility. Read More

View Article and Full-Text PDF

An open-label study to evaluate biomarkers and safety in systemic sclerosis patients treated with paquinimod.

Arthritis Res Ther 2021 Jul 31;23(1):204. Epub 2021 Jul 31.

Department of Rheumatology, University Hospital Zurich, University of Zurich, Zurich, Switzerland.

Objectives: To evaluate the changes in disease-related biomarkers and safety of paquinimod, an oral immunomodulatory compound, in patients with systemic sclerosis (SSc).

Methods: In this open-label, single-arm, multicenter study, SSc patients with a rapidly progressive disease received paquinimod for 8 weeks. Blood and skin biopsies were collected at baseline, during treatment, and at follow-up for the analyses of type I interferon (IFN) activity, chemokine (C-C motif) ligand 2 (CCL2), and the number of myofibroblasts. Read More

View Article and Full-Text PDF

Synthesis, antitubercular, antimicrobial activities and molecular docking study of quinoline bearing dihydropyrimidines.

Bioorg Chem 2021 Jul 15;115:105173. Epub 2021 Jul 15.

Molecular Modeling and Medicinal Chemistry Group, Department of Chemistry, University College of Science, Osmania University, Hyderabad 500007, Telangana, India.

In order to develop the antimicrobial and antitubercular agents, we have derived quinoline bearing dihydropyrimidine analogues 5a-o and structures of these compounds were determined by spectroscopic techniques. Further, we have calculated the molecular properties prediction and drug-likeness by Molinspiration property calculation toolkit and MolSoft software, respectively. The most active compound against Mycobacterium tuberculosis (5m, MIC = 0. Read More

View Article and Full-Text PDF

Alkaloid derivative ION-31a inhibits breast cancer metastasis and angiogenesis by targeting HSP90α.

Bioorg Chem 2021 Jul 22;115:105201. Epub 2021 Jul 22.

School of Pharmacy, Tianjin Medical University, Tianjin 300070, PR China; Research Center of Basic Medical Sciences, Tianjin Medical University, Tianjin 300070, PR China. Electronic address:

Breast cancer has become the number one killer of women. In our previous study, an active compound, ION-31a, with potential anti-metastasis activity against breast cancer was identified through the synthesis of ionone alkaloid derivatives. In the present study, we aimed to identify the therapeutic target of ION-31a. Read More

View Article and Full-Text PDF

Identification of a potent Nrf2 displacement activator among aspirin-containing prodrugs.

Neurochem Int 2021 Jul 27;149:105148. Epub 2021 Jul 27.

Darby Children's Research Institute, Medical University of South Carolina, Charleston, SC, USA; Department of Pediatrics, Medical University of South Carolina, Charleston, SC, USA; Department of Neuroscience, Medical University of South Carolina, Charleston, SC, USA; Department of Drug Discovery, Medical University of South Carolina, Charleston, SC, USA. Electronic address:

Aspirin is a desired leaving group in prodrugs aimed at treatment of neurodegeneration and other conditions. A library of aspirin derivatives of various scaffolds potentially activating Nrf2 has been tested in Neh2-luc reporter assay which screens for direct Nrf2 protein stabilizers working via disruption of Nrf2-Keap1 interaction. Most aspirin prodrugs had a pro-alkylating or pro-oxidant motif in the structure and, therefore, were toxic at high concentrations. Read More

View Article and Full-Text PDF

Facile synthesis, antimicrobial and antiviral evaluation of novel substituted phenyl 1,3-thiazolidin-4-one sulfonyl derivatives.

Bioorg Chem 2021 Jul 9;114:105153. Epub 2021 Jul 9.

Drug Design & Discovery Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & Sciences, Allahabad, Uttar Pradesh 211007, India. Electronic address:

A series of novel substituted phenyl 1, 3-thiazolidin-4-one sulfonyl derivatives 5 (a-t) were synthesized and screened for their in-vitro anti-microbial and anti-viral activity. The result of the anti-microbial assay demonstrated compounds 5d, 5f, 5g, 5h, 5i, 5j showed prominent inhibitory activity against all the tested Gram-positive and Gram-negative bacterial strains, while compounds 5g, 5j, 5o, 5p, 5q showed significant activity against the entire set of fungal strains as compared to standard drug Ampicillin and Clotrimazole, respectively. The antimicrobial study revealed that compounds having electron-withdrawing groups showed significant antimicrobial potency. Read More

View Article and Full-Text PDF

Search of New Tools for Weed Control Using , a Dominant Species in the Cerrado.

J Agric Food Chem 2021 Jul 30. Epub 2021 Jul 30.

Allelopathy Group, Department of Organic Chemistry, Institute of Biomolecules (INBIO), Campus de Excelencia Internacional (ceiA3), School of Science, University of Cadiz, C/ República Saharaui no 7, Puerto Real, Cadiz 11510, Spain.

(Less.) Baker stands out as one of the species with the highest frequency, density, and relative dominance in the Cerrado formations. However, no phytochemical studies have been carried out with this species to date. Read More

View Article and Full-Text PDF

Research Progress on Catalpol as Treatment for Atherosclerosis.

Front Pharmacol 2021 13;12:716125. Epub 2021 Jul 13.

Department of Cardiology, The First Affiliated Hospital of Xinxiang Medical University, Heart Center of Xinxiang Medical University, Xinxiang, China.

Coronary atherosclerotic heart disease, cerebrovascular disease, and peripheral artery disease are common diseases with high morbidity and mortality rates and must be addressed. Their most frequent complications, including myocardial infarction and stroke, are caused by spontaneous thrombotic occlusion and are the most frequent cause of death worldwide. Atherosclerosis (AS) is the most widespread underlying pathological change for the above diseases. Read More

View Article and Full-Text PDF