Investigating the mechanism of inhibition of cyclin-dependent kinase 6 inhibitory potential by selonsertib: Newer insights into drug repurposing

MH Baig, M Yousuf, MI Khan, I Khan, I Ahmad… - Frontiers in …, 2022 - frontiersin.org
Cyclin-dependent kinases (CDKs) play significant roles in numerous physiological, and are
considered an attractive drug target for cancer, neurodegenerative, and inflammatory …

Quantum Dynamics and Bi Metal Force Field Parameterization Yielding Significant Antileishmanial Targets

N Zaman, SS Azam - Journal of Chemical Information and …, 2023 - ACS Publications
Amid emerging drug resistance to metal inhibitors, high toxicity, and onerous drug delivery
procedures, the computational design of alternate formulations encompassing functional …

Probing the Interaction of Selonsertib with Human Serum Albumin: In silico and In vitro Approaches

MH Baig, P Gupta, MI Khan, MF Alajmi… - Current Topics in …, 2022 - benthamdirect.com
Introduction: Selonsertib, the most recently developed selective inhibitor of apoptosis signal-
regulating kinase 1. We elucidated the binding characteristics, mechanism of interaction …

Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element

N Zhao, Q Zhang, C Zhao, L Liu, T Li, C Li, L He… - … et Biophysica Acta (BBA …, 2021 - Elsevier
Background Crotonase superfamily members exhibit great catalytic diversity towards various
acyl-CoA substrates. A common CoA moiety binding pattern is usually observed in this …