Design and synthesis of isoniazid-based pyrazolines as potential inhibitors of Mycobacterium tuberculosis with promising radical scavenging action: in-vitro and in …

J Rasgania, R Gavadia, M Varma-Basil… - Journal of Molecular …, 2024 - Elsevier
In view of the devastating tuberculosis infections and emerging resistance against available
drugs, novel 5-phenyl-3-(thiophen-2-yl)-4, 5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl) …

[HTML][HTML] Virtual Screening and Molecular Dynamics Simulation to Identify Inhibitors of the m6A-RNA Reader Protein YTHDC1

M Aslam, N Singh, X Wang, W Li - Applied Sciences, 2024 - mdpi.com
YTHDC1 (YTH domain containing 1), a crucial reader protein of N6-methyladenosine (m6A)
mRNA, plays a critical role in various cellular functions and is considered a promising target …

Special Issue on “Computational Approaches for Protein Dynamics and Function”

D Scaramozzino, RL Jernigan - Applied Sciences, 2023 - mdpi.com
Proteins are fundamental macromolecules that sustain living organisms by performing an
astonishingly wide variety of tasks. They adopt extremely diverse shapes that perform highly …