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Journal of Biomolecular Structure & Dynamics|April 6, 2023
Carbazole derivatives as promising competitive and allosteric inhibitors of human serotonin transporter: computational pharmacologyYusuf Oloruntoyin Ayipo, Iqrar Ahmad, Chien Fung Chong, et al.Applied Biochemistry and Biotechnology|September 30, 2023
Screening of Phytocompounds for Identification of Prospective Histone Deacetylase 1 (HDAC1) Inhibitor: An In Silico Molecular Docking, Molecular Dynamics Simulation, and MM-GBSA ApproachKaushik Kumar Bharadwaj, Iqrar Ahmad, Siddhartha Pati, et al.Heliyon|August 8, 2024
Synthesis, optical properties, DNA, β-cyclodextrin interactions, and antioxidant evaluation of novel isoxazolidine derivative (ISoXD2): A multispectral and computational analysisIbrahim A Alhagri, Raghad Alsowayan, Siwar Ghannay, et al.Future Medicinal Chemistry|May 15, 2025
Design and synthesis of newer 5-aryl-N-(naphthalen-2-yl)-1,3,4-oxadiazol-2-amine analogues as anticancer agentsMohamed Jawed Ahsan, Vivek Kumar, Amena Ali, et al.Journal of Biomolecular Structure & Dynamics|June 1, 2023
Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studiesTilal Elsaman, Iqrar Ahmad, Eyman Mohamed Eltayib, et al.Journal of Biomolecular Structure & Dynamics|October 31, 2023
α-Amylase and mycobacterium-TB H37Rv antagonistic efficacy of novel pyrazole-coumarin hybrids: an in vitro and in silico investigationDilip C Kanjariya, Hem N Naik, Meet J Sherashiya, et al.Journal of Biomolecular Structure & Dynamics|May 8, 2023
In silico analysis to identify potential antitubercular molecules in Morus alba through virtual screening and molecular dynamics simulationsMahvish Khan, Saif Khan, Freah L Alshammary, et al.Heliyon|December 29, 2022
Antihypertensive activity of roasted cashew nut in mixed petroleum fractions-induced hypertension: An in vivo and in silico approachesJacob Kehinde Akintunde, Victoria Omoyemi Akomolafe, Odunayo Anthonia Taiwo, et al.International Journal of Biological Macromolecules|February 1, 2024
Isolation, characterization, and multimodal evaluation of novel glycolipid biosurfactant derived from Bacillus species: A promising Staphylococcus aureus tyrosyl-tRNA synthetase inhibitor through molecular docking and MD simulationsRohit Pritam Das, Subhadarsini Sahoo, Sudhir Kumar Paidesetty, et al.Bioorganic & Medicinal Chemistry Letters|April 9, 2015
Structural insight of glitazone for hepato-toxicity: Resolving mystery by PASSHarun Patel, Yogesh Sonawane, Rakesh Jagtap, et al.Pageof 11