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Journal of Biomolecular Structure & Dynamics|June 9, 2023
Synthesis, biological evaluation and molecular modeling studies of modulated benzyloxychalcones as potential acetylcholinesterase inhibitorsArman Abdalla Ali, Shakhawan Ahmad Mhamad, Aso Hameed Hasan, et al.Bioorganic Chemistry|August 16, 2021
Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC)Rahul Pawara, Iqrar Ahmad, Deepika Nayak, et al.Journal of Biomolecular Structure & Dynamics|May 21, 2025
Assessment of novel 1,2,3,4-tetrahydroquinoline-triazole hybrids compounds as inhibitors of E. coli DNA GyraseB: in vitro and in silico investigationBhadreshkumar K Chabhadiya, Hem N Naik, Bhavika A Mohite, et al.Chemistry & Biodiversity|February 12, 2026
Computational Analysis of Balanites aegyptiaca Phytochemicals as Inhibitors of Human Pancreatic α-AmylaseSurendra Kumar Gautam, Rakesh Kumar Paul, Smita Jain, et al.Chemistry & Biodiversity|February 12, 2025
Integrated Computational Approach for Designing Potent EGFR-TK Inhibitors: QSAR, Docking, ADMET, and Molecular Dynamics StudiesShital M Patil, Kalyani Asgaonkar, Shashikant Bhandari, et al.International Journal of Biological Macromolecules|August 2, 2023
In-vitro anticancer evaluation of newly designed and characterized tri/tetra-substituted imidazole congeners- maternal embryonic leucine zipper kinase inhibitors: Molecular docking and MD simulation approachesMonalisa Mahapatra, Priyanka Mohapatra, Kakarla Pakeeraiah, et al.Journal of Biomolecular Structure & Dynamics|August 1, 2023
A reverse docking approach to explore the anticancer potency of natural compounds by interfering metastasis and angiogenesisAnindita Ash Prome, Tanjin Barketullah Robin, Nadim Ahmed, et al.Journal of Biomolecular Structure & Dynamics|July 28, 2023
Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivativesMashood A F Mohamed, Innocent Benjamin, Gideon A Okon, et al.Journal of Biomolecular Structure & Dynamics|May 31, 2023
Investigation of new 1,2,3-triazolyl-quinolinyl-propan-2-ol derivatives as potential antimicrobial agents: in vitro and in silico approachAbhijit D Shinde, Yogesh M Nandurkar, Swapnil Bhalekar, et al.Molecular Diversity|November 27, 2023
Mycobacterial FtsZ and inhibitors: a promising target for the anti-tubercular drug developmentYashodeep Shinde, Asama Pathan, Sampath Chinnam, et al.Pageof 11