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7 results on '"Patil, Rajesh B."'

1. Exploring antibiofilm potential of some new imidazole analogs against C. albicans: synthesis, antifungal activity, molecular docking and molecular dynamics studies

Author

Pathan, Shahebaaz K., primary, Shelar, Amruta, additional, Deshmukh, Satish, additional, Kalam Khan, Firoz A., additional, Ansari, Siddique Akber, additional, Ansari, Irfan Aamer, additional, Patil, Rajesh B., additional, Arote, Rohidas, additional, Bhusnure, Omprakash, additional, Patil, Rajendra H., additional, and Sangshetti, Jaiprakash N., additional

Published
2024
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2. Sappanin-type homoisoflavonoids from Scilla nervosa inhibits acetylcholinesterase enzyme: a combined in silico and in vitro approach

Author

Famuyiwa, Samson O., Patil, Rajesh B., Faloye, Kolade O., Awotuya, Iyanu O., Gadhawe, Sandeep P., Oladiran, Oluyemi J., and Bello, Oyenike I.

Subjects
Structural Biology, General Medicine, Molecular Biology
Abstract

Alzheimer’s disease is among the major health challenges that currently attract the attention of health care givers and drug discovery and development experts worldwide. This study investigated the acetylcholinesterase inhibitory activity of sappanin-type homisoflavonoids isolated from the inter-bulb surface of Scilla nervosa. Molecular docking, molecular dynamics simulation, ADMET and in vitro studies were performed to identify the hit molecules, understand their binding mode and interaction, druggability and establish their inhibitory potentials against acetylcholinesterase enzyme. The hit compounds 5, 2, 1 and 4 were identified as the hit molecules through the molecular docking. The molecular dynamics simulation and MM-PBSA analysis showed the hit homoisoflavonoids established stability and good binding affinity against the acetylcholinesterase enzyme. Also, 5 elicited the best inhibitory activity followed by 2, 1 and 4 in the in vitro experiment. Furthermore, the selected homoisoflavonoids exhibit interesting drug likeness and pharmacokinetic properties as drug candidate. The results suggest further investigations towards the development of the phytochemicals as possible acetylcholinesterase inhibitors. Communicated by Ramaswamy H. Sarma

Published
2023

7. Identification of bioactive compounds fromGlycyrrhiza glabraas possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study

Author

Sinha, Saurabh K., primary, Prasad, Satyendra K., additional, Islam, Md Ataul, additional, Gurav, Shailendra S., additional, Patil, Rajesh B., additional, AlFaris, Nora Abdullah, additional, Aldayel, Tahany Saleh, additional, AlKehayez, Nora M., additional, Wabaidur, Saikh Mohammad, additional, and Shakya, Anshul, additional

Published
2020
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