Research papers on molecular docking studies
WebAug 21, 2024 · In this paper, two bioactive compounds, namely apigenin derivative ( AGD ) and stigmasterol ( STM ... molecular docking and dynamics studies were performed using AutoDock Vina and GROMACS software. In vitro assays revealed the antidiabetic potential of AGD and STM with &alpha ;-glucosidase and α-amylase ... WebCurrently, we reported the synthesis of six novel salicylaldehyde-based thiosemicarbazones (BHCT1–HBCT6) via condensation of salicylaldehyde with respective thiosemicarbazide. Through various spectroscopic methods, UV–visible and NMR, the chemical structures of BHCT1–HBCT6 compounds were determined. Along with synthesis, a computational …
Research papers on molecular docking studies
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WebPUBLICATION: 1. "EFFECT OF CLITORIA TERNATEA ON PCOS - MOLECULAR DOCKING STUDY" _ International Journal of Food And Nutrtional Sciences, ISSN: 2320-7876, Pg. 49-53, JULY 2024 RESEARCH EXPERIANCE: 1. “IMPACT OF SANITARY NAPKIN USAGE ON MENSTRUAL HEALTH” Name of Institution: RAC, Fatima College, Madurai. … WebAzevedo is a member of the editorial boards of several journals, for instance: Current Medicinal Chemistry, Molecular Diversity, and the Journal of Molecular Structures. He is a reviewer for over 60 high-impact journals, including Nature Communications and Briefings in Bioinformatics. His research interests have three emphases: machine learning, …
WebJun 23, 2024 · research papers. Synthesis, X-ray structure, antimicrobial activity, DFT and molecular docking studies of N-(thiophen-2-ylmethyl) ... In addition, molecular docking studies were calculated in order to understand the nature of the binding of (I) with a lung cancer protein (PDB entry 1x2j). WebThe present study aimed to assess bioactive compounds found in medicinal plant s as potential COVID-19 M pro inhibitors, using a molecular docking study. Molecular docking was performed using Autodock 4.2, with the Lamarckian Genetic Algorithm, to analy s e the probability of docking. COVID-19 M p ro was docked with several compounds, and ...
WebThe presence of both carboxyl (5–8) and phthalyl (17–20) groups in the parent molecule led to maximum electroacceptance.All compounds were almost equal for the donating power of the electron ω−. Compounds bearing alanyl residues (5, 9, 13, and 17) had the highest electron acceptance.All methoxy (9–12) and hydrazide (13–16) members showed more … WebApr 12, 2024 · Research Article. Synthesis, Biological ... -5097-7747; Department of Chemistry, National Institute of Technology Srinagar, India-, 190006 Srinagar. Search for more papers by this author. Prof. Tabassum ... [4,5-b]indole as an antifungal agent. In silico molecular docking studies were performed to investigate the mode of interation ...
WebMar 1, 2024 · @article{Ghous2024SynthesisCS, title={Synthesis, Crystal Structure, Computational Investigation, Molecular Docking Analysis and Anti-lung Cancer Activity of …
WebJul 17, 2024 · In the wake of emergence of antimicrobial resistance, bioactive phytochemical compounds are proving to be important therapeutic agents. The present study envisaged in silico molecular docking as well as in vitro antimicrobial efficacy screening of identified phytochemical ligands to the dispersin (aap) and outer membrane osmoporin (OmpC) … milky stars chocolateWebJournal of Molecular Structure. Volume 1269, 5 December 2024, 133694. Synthesis, comprehensive spectroscopic investigation and molecular docking studies of (6-Fluoro-2-oxo-2H-chromen-4-yl) methyl morpholine-4-carbodithioate. Author links open overlay panel Bessy Mary Philip a, ... milky stones crossword clueWebOct 19, 2024 · In this paper five phytochemicals, which belong to flavonoid and anthraquinone subclass, have been selected as small molecules in molecular docking … new zealand v england liveWebThe purpose of this review is to highlight the current molecular docking strategies used in drug discovery and to explore various advances in the field. Methods: In this review we … new zealand v england cricket 2WebHiv 1. The human immunodeficiency virus 1 (HIV-1) protease is an important target for treating HIV infection. Our goal was to benchmark a novel molecular docking protocol … milky style italian coffeeWebOct 24, 2013 · In order to recognize an accurate docking routine for carrying out molecular docking studies of ASMT protein as well as to identify the potent inhibitors against that … milky style italian coffee crossword clueWebThe cell cycle was halted at the G1-S phase, and total apoptotic cells were 65 times more than control Hep-G2 cells. Besides, it increased caspase-3 gene expression, triggering … milky sticky white vaginal discharge no odor