25,493 results match your criteria compound exhibited


Discovery of novel oxazole-based macrocycles as anti-coronaviral agents targeting SARS-CoV-2 main protease.

Bioorg Chem 2021 Sep 17;116:105363. Epub 2021 Sep 17.

Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut 71526, Egypt. Electronic address:

We have discovered a family of synthetic oxazole-based macrocycles to be active against SARS-CoV-2. The synthesis, pharmacological properties, and docking studies of the compounds are reported in this study. The structure of the new macrocycles was confirmed by NMR spectroscopy and mass spectrometry. Read More

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September 2021

Synthesis, in vitro anticancer activity and in silico studies of certain pyrazole-based derivatives as potential inhibitors of cyclin dependent kinases (CDKs).

Bioorg Chem 2021 Sep 11;116:105347. Epub 2021 Sep 11.

Pharmaceutical Chemistry Department, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt; Pharmaceutical Chemistry Department, Faculty of Pharmacy and Drug Technology, Egyptian Chinese University, 11786 Cairo, Egypt.

New diphenyl-1H-pyrazoles were synthesized and screened for CDK2 inhibition where 8d, 9b, 9c, and 9e exhibited promising activity (IC = 51.21, 41.36, 29. Read More

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September 2021

Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles.

J Agric Food Chem 2021 Sep 23. Epub 2021 Sep 23.

College of Plant Protection, Northwest A&F University, Yangling, Shaanxi 712100, China.

A series of novel steroidal derivatives with a substituted 1,3,4-oxadiazole structure was designed and synthesized, and the target compounds were evaluated for their insecticidal activity against five aphid species. Most of the tested compounds exhibited potent insecticidal activity against (Hausmann), , and . Compounds and displayed the highest activity against , showing LC values of 27. Read More

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September 2021

NLRP7 variants in spontaneous abortions with multilocus imprinting disturbances from women with recurrent pregnancy loss.

J Assist Reprod Genet 2021 Sep 23. Epub 2021 Sep 23.

Research Institute of Medical Genetics, Tomsk National Research Medical Center of the Russian Academy of Sciences, Ushaika str., 10, Tomsk, Russia.

Purpose: Comparative analysis of multilocus imprinting disturbances (MLIDs) in miscarriages from women with sporadic (SPL) and recurrent pregnancy loss (RPL) and identification of variants in the imprinting control gene NLRP7 that may lead to MLIDs.

Methods: Chorionic cytotrophoblast and extraembryonic mesoderm samples from first-trimester miscarriages were evaluated in 120 women with RPL and 134 women with SPL; 100 induced abortions were analyzed as a control group. All miscarriages had a normal karyotype. Read More

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September 2021

Development of Novel Isoindolone-Based Compounds against Trypanosoma brucei rhodesiense.

ChemistryOpen 2021 Sep;10(9):922-927

European Institute for Molecular Imaging (EIMI), Westphalian Wilhelms-University Münster, 48149, Münster, Germany.

This study identified the isoindolone ring as a scaffold for novel agents against Trypanosoma brucei rhodesiense and explored the structure-activity relationships of various aromatic ring substitutions. The compounds were evaluated in an integrated in vitro screen. Eight compounds exhibited selective activity against T. Read More

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September 2021

Discovery of Novel Small Molecule Inhibitors Disrupting the PCSK9-LDLR Interaction.

J Chem Inf Model 2021 Sep 23. Epub 2021 Sep 23.

Jiangsu Key Laboratory of Drug Discovery for Metabolic Disease and State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing 210009, P. R. China.

Proprotein convertase subtilisin kexin 9 (PCSK9) has been identified as a reliable therapeutic target for hypercholesterolemia and coronary artery heart diseases since the monoclonal antibodies of PCSK9 have launched. Disrupting the protein-protein interaction (PPI) between PCSK9 and the low-density lipoprotein receptor (LDLR) has been considered as a promising approach for developing PCSK9 inhibitors. However, PPIs have been traditionally considered difficult to target by small molecules since the PPI surface is usually large, flat, featureless, and without a "pocket" or "groove" for ligand binding. Read More

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September 2021

Immune-related effects of compound astragalus polysaccharide and sulfated epimedium polysaccharide on newborn piglets.

Anim Biotechnol 2021 Sep 22:1-12. Epub 2021 Sep 22.

The Engineering Research Center of Ecology and Agricultural Use of Wetland, Ministry of Education, College of Animal Science, Yangtze University, Jingzhou, China.

This study aimed to evaluate the immune effects of compound astragalus polysaccharide and sulfated epimedium polysaccharide (APS-sEPS) on the peripheral blood lymphocyte and intestinal mucosa in newborn piglets. A total of 40 newborn piglets were randomly divided into four groups during a 25-day experiment, including APS-sEPS, APS, sEPS and control group. The results showed that supplementation with APS-sEPS to newborn piglets remarkably increased the physiological parameters, especially the WBC. Read More

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September 2021

Discovery of a Potent FLT3 Inhibitor (LT-850-166) with the Capacity of Overcoming a Variety of FLT3 Mutations.

J Med Chem 2021 Sep 22. Epub 2021 Sep 22.

School of Science, China Pharmaceutical University, Nanjing 211198, P. R. China.

Secondary mutations of FLT3 have become the main mechanism of FLT3 inhibitor resistance that presents a significant clinical challenge. Herein, a series of pyrazole-3-amine derivatives were synthesized and optimized to overcome the common secondary resistance mutations of FLT3. The structure-activity relationship and molecular dynamics simulation studies illustrated that the ribose region of FLT3 could be occupied to help address the obstacle of secondary mutations. Read More

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September 2021

Design, synthesis, and biological evaluation of novel Bcr-Abl inhibitors incorporating amino acids as flexible linker.

Bioorg Med Chem 2021 Sep 8;48:116398. Epub 2021 Sep 8.

School of Pharmacy, Health Science Center, Xi'an Jiaotong University, Xi'an 710061, China. Electronic address:

Despite the success of imatinib in CML therapy through Bcr-Abl inhibition, acquired drug resistance occurs over time in patients. In particular, the resistance caused by T315I mutation remains a challenge in clinic. Herein, we embarked on a structural optimization campaign aiming at discovery of novel Bcr-Abl inhibitors toward T315I mutant based on previously reported dibenzoylpiperazin derivatives. Read More

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September 2021

A camptothecin-based, albumin-binding prodrug enhances efficacy and safety in vivo.

Eur J Med Chem 2021 Sep 16;226:113851. Epub 2021 Sep 16.

School of Chemistry and Molecular Engineering, East China Normal University, 3663 North Zhongshan Road, Shanghai, 200062, PR China. Electronic address:

The albumin-based drug delivery system is an effective drug delivery strategy for traditional chemotherapeutic drugs that can improve their antitumour efficacies and reduce systemic toxicities. The camptothecin derivative CPTS0001 has excellent antitumour activity in vitro, but it shows toxicity and side effects in vivo. In this study, we report the synthesis and biological evaluation of the β-glucuronidase-reactive albumin-binding prodrug Mal-glu-CPTS0001 based on quaternary ammonium. Read More

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September 2021

Inhibitory effect of honokiol on furin-like activity and SARS-CoV-2 infection.

J Tradit Complement Med 2021 Sep 16. Epub 2021 Sep 16.

Laboratory of Nutri-Pharmacotherapeutics Management, School of Pharmacy, Faculty of Pharmacy and Pharmaceutical Sciences, Josai University, Saitama, Japan.

The coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has emerged as a pandemic and has caused damage to the lives of the people and economy of countries. However, the therapeutic reagents against SARS-CoV-2 remain unclear. The spike (S) protein of SARS-CoV-2 contains a cleavage motif at the S1/S2 boundary, known to be cleaved by furin. Read More

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September 2021

Fucoidan-Coated Liposomes: A Target System to Deliver the Antimicrobial Drug Usnic Acid to Macrophages Infected with .

J Biomed Nanotechnol 2021 Aug;17(8):1699-1710

Keizo Asami Immunopathology Laboratory, Federal University of Pernambuco, Recife, 50670-901, Brazil.

The present study describes the use of fucoidan, a negative sulfated polysaccharide, as a coating material for the development of liposomes targeted to macrophages infected with . First, fucoidan was chemically modified to obtain a hydrophobized-fucoidan derivative (cholesteryl-fucoidan) using a two-step microwave-assisted (μW) method. The total reaction time was decreased from 14 hours to 1 hour while maintaining the overall yield. Read More

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Design, synthesis and biological evaluation of hybrid of ubenimex-fluorouracil for hepatocellular carcinoma therapy.

Bioorg Chem 2021 Sep 11;116:105343. Epub 2021 Sep 11.

Key Laboratory of Marine Drugs, Chinese Ministry of Education, School of Medicine and Pharmacy, Ocean University of China, 5 Yushan Road, Qingdao 266003, PR China; Laboratory for Marine Drugs and Bioproducts, Qingdao National Laboratory for Marine Science and Technology, Qingdao, 266237, PR China. Electronic address:

In our previous study, we discovered a ubenimex-fluorouracil (5FU) conjugates BC-02, which displays significant in vivo anti-tumor activity, however, the instability of BC-02 in plasma limits its further development as a drug candidate. Herein, we designed and synthesized four novel ubenimex-5FU conjugates by optimizing the linkers between ubenimex and 5FU based on BC-02. Representative compound 20 is more stable than BC-02 in human plasma and displays about 100 times higher CD13 inhibitory activity than the positive control ubenimex. Read More

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September 2021

Discovery of bilirubin as novel P2X7R antagonist with anti-tumor activity.

Bioorg Med Chem Lett 2021 Sep 17:128361. Epub 2021 Sep 17.

School of Life Sciences, Zhengzhou University, Zhengzhou 450001, China. Electronic address:

As a unique ligand gated ion channel in the P2-receptor family, P2X7R is highly expressed in various tumors. The activated P2X7R facilitates tumor growth and metastasis. Hypoxia, inflammation and necrosis in the tumor microenvironment (TME) cause a large amount of adenosine triphosphate (ATP) accumulated in the TME. Read More

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September 2021

Evaluation of the novel vaginal contraceptive agent PPCM in preclinical studies using sperm hyaluronan binding and acrosome status assays.

Andrology 2021 Sep 20. Epub 2021 Sep 20.

Department of Urology, College of Medicine, University of Illinois at Chicago, Chicago, Illinois, USA.

Background: Polyphenylene carboxymethylene sodium salt (PPCM) is a promising multipurpose technology for prevention of both sexually transmitted infections (STIs) and pregnancy. In preclinical studies, PPCM has demonstrated significant 1) antimicrobial activity against several important viral and bacterial pathogens and 2) contraceptive activity associated with premature acrosome loss (PAL).

Objective: To further evaluate a vaginal antimicrobial compound as a contraceptive agent in preclinical studies utilizing a repurposed hyaluronan binding assay (HBA). Read More

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September 2021

Lasibidoupins A and B, two new compounds from the stems of V.S. Dang & Naiki.

Nat Prod Res 2021 Sep 20:1-7. Epub 2021 Sep 20.

Faculty of Chemistry, Graduate University of Science and Technology, Vietnam Academy of Science and Technology, Hanoi, Vietnam.

From the stems, two new compounds, including one new 9,10-anthraquinone, lasibidoupin A (), and one new 6,7-benzocoumarin, lasibidoupin B (), together with one known compound, 11--methyldamnacanthol () were isolated using chromatographic method. Their structures were determined by extensive HRMS, and NMR assignments. Compound was reported for the first time from this species. Read More

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September 2021

A glyoxylate-containing benzene derivative and butenolides from a marine algicolous fungus sp. SCSIO 41304.

Nat Prod Res 2021 Sep 20:1-8. Epub 2021 Sep 20.

School of Pharmaceutical Sciences, Changchun University of Chinese Medicine, Changchun, China.

A new glyoxylate-containing benzene derivative, methyl 2-(4-hydroxy-3-(3'-methyl-2'-butenyl)phenyl)-2-oxoacetate (), together with ten known compounds (-), were isolated from the marine algicolous fungus, sp. SCSIO 41304. Their planar structures and absolute configurations were elucidated by detailed NMR, MS spectroscopic analysis and comparing with literature data. Read More

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September 2021

Seasonal variation of verbascoside as a principal phenolic compound linked with antioxidant potentials of Lindl. leaves.

Nat Prod Res 2021 Sep 20:1-5. Epub 2021 Sep 20.

Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi, India.

This study reports the influence of seasonality on the accumulation of verbascoside as a principal phenolic compound in Lindl. leaves along with possible alteration of antioxidant potentials. Leaves were collected during winter (December 2018), spring (February 2019), summer (May 2019), monsoon (July 2019), autumn (October 2019), and extracted with 95% aqueous methanol by cold maceration. Read More

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September 2021

New Xanthones with Antiagricultural Fungal Pathogen Activities from the Endophytic Fungus L17.

J Agric Food Chem 2021 Sep 19. Epub 2021 Sep 19.

Department of Natural Medicinal Chemistry and Pharmacognosy, School of Pharmacy, Qingdao University, Qingdao, Shandong 266021, People's Republic of China.

Six new xanthone dimers, diaporxanthones A-F (-), and an unusual xanthone monomer diaporxanthone G (), in addition to seven known analogues (-), were isolated and identified from endophytic L17 harbored in the fruits of the salt-tolerant plant . The chemical structures of these metabolites were elucidated on the basis of nuclear magnetic resonance, high-resolution electrospray ionization mass spectrometry, and reported data in the literature. Their absolute configurations were established by single-crystal X-ray diffraction analysis together with time-dependent density functional theory electronic circular dichroism calculations. Read More

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September 2021

Structure-based Virtual Screening and Molecular Dynamics Simulation Studies to Discover New SARS-CoV-2 Main Protease Inhibitors.

Sci Afr 2021 Sep 14:e00970. Epub 2021 Sep 14.

Department of Pharmaceutical Microbiology and Biopharmaceutics, Faculty of Pharmaceutical Sciences, University of Nigeria, Nsukka.

Computational methods were used to filter two datasets (> 8,000 compounds) based on two criteria: higher binding affinity for M than cocrystallized inhibitor and binding interactions with M catalytic dyad (Cys145 and His41). After virtual screening involving ranking and reranking, eleven compounds were identified to satisfy these criteria and analysis of their structures revealed an unparallel common features among them which could be critical for their interactions with M. However, only the topmost scoring compound (AV-203:  = 0. Read More

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September 2021

Electrochemical and quantum mechanical investigation of various small molecule organic compounds as corrosion inhibitors in mild steel.

Heliyon 2021 Sep 7;7(9):e07952. Epub 2021 Sep 7.

Chemistry Department, De La Salle University, 2401 Taft Avenue, 0922 Manila, Philippines.

The corrosion inhibition property of selected small organic compounds was investigated using electrochemical measurements, including potentiodynamic polarization (PDP), linear polarization resistance (LPR), electrochemical impedance spectroscopy (EIS), and density functional theory (DFT) calculations. The inhibition efficiency ( %) of the inhibitor on mild steel (MS) in 1 M HCl was then determined. Results show that the presence of the inhibitors resulted in decreased corrosion current density ( ) values and increased polarization resistance ( ). Read More

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September 2021

Two New Diterpenoids from . and Their Activities.

Front Chem 2021 1;9:749272. Epub 2021 Sep 1.

Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, Jinan University, Guangzhou, China.

Two new diterpenoids, including a -isopimarane type (1) and an abietane type (2), were isolated from sp. (71-10-1-1). Their structures, including absolute configurations, were elucidated by NMR spectroscopic analyses, X-ray crystallography, C chemical shifts calculations, and ECD calculations. Read More

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September 2021

Design, Synthesis, and Biological Evaluation of Benzo[cd]indol-2(1H)-ones Derivatives as a Lysosome-Targeted Anti-metastatic Agent.

Front Oncol 2021 27;11:733589. Epub 2021 Aug 27.

Key Laboratory of Natural Medicine and Immuno-Engineering, Henan University, Kaifeng, China.

Lysosomes have become a hot topic in tumor therapy; targeting the lysosome is therefore a promising strategy in cancer therapy. Based on our previous lysosome-targeted bio-imaging agent, homospermine-benzo[cd]indol-2(1H)-one conjugate (HBC), we further developed three novel series of polyamine- benzo[cd]indol-2(1H)-one conjugates. Among them, compound 15f showed potent inhibitory activity in hepatocellular carcinoma migration both and . Read More

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Biological Investigations of Ru(II) Complexes With Diverse β-diketone Ligands.

Eur J Inorg Chem 2021 Sep 21;2021(35):3611-3621. Epub 2021 Jul 21.

Department of Chemistry, University of Kentucky, 505 Rose Street, Lexington, Kentucky 40506, USA.

The β-diketone scaffold is a commonly used synthetic intermediate, and is a functional group found in natural products such as curcuminoids. This core structure can also act as a chelating ligand for a variety of metals. In order to assess the potential of this scaffold for medicinal inorganic chemistry, seven different κ-O,O'-chelating ligands were used to construct Ru(II) complexes with polypyridyl co-ligands, and their biological activity was evaluated. Read More

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September 2021

Anti-COVID-19 activity of some benzofused 1,2,3-triazolesulfonamide hybrids using and analyses.

Chemometr Intell Lab Syst 2021 Oct 11;217:104421. Epub 2021 Sep 11.

Department of Chemistry, College of Sciences, Taibah University, Yanbu, 30799, Saudi Arabia.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a pandemic fatal infection with no known treatment. The severity of the disease and the fast viral mutations forced the scientific community to search for potential solution. Here in the present manuscript, some benzofused1,2,3triazolesulfonamide hybrids were synthesized and evaluated for their anti- SARS-CoV-2 activity using prediction then the most potent compounds were assessed using analysis. Read More

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October 2021

Ultrasensitive ECL aptasensing of kanamycin based on synergistic promotion strategy using 3,4,9,10-perylenetetracar-boxylic-l-cysteine/[email protected]

Anal Chim Acta 2021 Oct 19;1180:338780. Epub 2021 Jun 19.

Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, School of Petrochemical Engineering, Changzhou University, Changzhou, 213164, China; Advanced Catalysis and Green Manufacturing Collaborative Innovation Center Changzhou University, Changzhou, 213164, China. Electronic address:

Herein, a sensitive and selective electrochemiluminescence (ECL) aptasensor was designed using [email protected] as accelerator towards the perylene derivative (PTC-Cys)/peroxydisulfate (SO) system for kanamycin (KAN) assay. Firstly, the PTC-Cys was prepared by covalently binding l-cysteine to 3,4,9,10-perylenete-tracarboxylic acid, which was acted as the luminophore. Then [email protected] play the part of effective catalyst to accelerate the electrochemical reduction process of SOto produce more sulfate radical anions (SO), thus the ECL signal of the compound was noticeably raised by 2. Read More

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October 2021

Concise total synthesis of (+)-Zeylenone with antitumor activity and the structure-activity relationship of its derivatives.

Bioorg Chem 2021 Sep 4;116:105333. Epub 2021 Sep 4.

Institute of Medicinal Plant Development, Peking Union Medical College and Chinese Academy of Medical Sciences, Beijing 100193, PR China; Beijing Key Laboratory of Innovative Drug Discovery of Traditional Chinese Medicine (Natural Medicine) and Translational Medicine, PR China; Laboratory of Bioactive Substances and Resource Utilization of Chinese Herbal Medicine, Ministry of Education, PR China. Electronic address:

Natural products--polyoxygenated cyclohexenes exhibited potent anti-tumor activity, such as zeylenone, which is a natural product isolated from Uvaria grandiflora Roxb. This article will attempt to establish a gram-scale synthesis method of (+)-zeylenone and explain the structure-activity relationship of this kind of compound. Total synthesis of (+)-zeylenone was completed in 13 steps with quinic acid as the starting material in 9. Read More

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September 2021

N-2-(phenylamino) benzamide derivatives as novel anti-glioblastoma agents: Synthesis and biological evaluation.

Eur J Med Chem 2021 Sep 10;226:113817. Epub 2021 Sep 10.

School of Pharmacy, Lanzhou University, Lanzhou, 730000, China; State Key Laboratory of Applied Organic Chemistry, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, 730000, China; School of Pharmaceutical Science, Hengyang Medical School, University of South China, Hengyang, Hunan, 421001, China. Electronic address:

Glioblastoma is one of the most lethal brain tumors. The crucial chemotherapy is mainly alkylating agents with modest clinical success. Given this desperate need and inspired by the encouraging results of a phase II trial via concomitant Topo I inhibitor plus COX-2 inhibitor, we designed a series of N-2-(phenylamino) benzamide derivatives as novel anti-glioblastoma agents based on structure modification on 1,5-naphthyridine derivatives (Topo I inhibitors). Read More

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September 2021

Peptide DR8 analogs alleviate pulmonary fibrosis via suppressing TGF-β1 mediated epithelial-mesenchymal transition and ERK1/2 pathway in vivo and in vitro.

Eur J Pharm Sci 2021 Sep 16;167:106009. Epub 2021 Sep 16.

Key Laboratory of Preclinical Study for New Drugs of Gansu Province, School of Basic Medical Sciences & Research Unit of Peptide Science, Chinese Academy of Medical Sciences, Lanzhou University, 2019RU066, 199 Dong Gang West Roa, Lanzhou University, Lanzhou, Gansu Province 730000, China. Electronic address:

Pulmonary fibrosis is a chronic progressive lung disease that lacks effective treatments in clinic. It is characterized by repair disorder of epithelial cells, formation of fibroblast foci as well as destruction of alveolar structure. Previously we first determined that parent peptide DR8 (DHNNPQIR-NH) has anti-fibrotic activity in bleomycin-induced mice. Read More

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September 2021

4-Flourophenyl-substituted 5H-indeno[1,2-b]pyridinols with enhanced topoisomerase IIα inhibitory activity: Synthesis, biological evaluation, and structure-activity relationships.

Bioorg Chem 2021 Sep 11;116:105349. Epub 2021 Sep 11.

College of Pharmacy, Yeungnam University, Gyeongsan 38541, Republic of Korea. Electronic address:

A series of fluorinated and hydroxylated 2,4-diphenyl indenopyridinols were designed and synthesized using l-proline-catalyzed and microwave-assisted synthetic methods for the development of new anticancer agents. Adriamycin and etoposide were used as reference compounds for the evaluation of topo IIα inhibitory and anti-proliferative activity of the synthesized compounds. Exploring the structure-activity relationships of 36 prepared compounds and biological results, most of the compounds with ortho- and para-fluorophenyl at 4-position of indenopyridinol ring displayed strong topo IIα inhibition. Read More

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September 2021