Kh. Dhanachandra Singh

TL;DR: A homology model of nsP2 protein based on the crystal structure of the nsP1 protein of Venezuelan equine encephalitis virus is presented, and the pharmacophore features that must be present in an inhibitor of ns P2 protease are proposed.

TL;DR: Interestingly, some of the compounds show activity against JAK2 by PASS biological activity prediction, and these molecules could be potential selective inhibitors of Jak2 that can be experimentally validated and their backbone structural scaffold could serve as building blocks in designing drug-like molecules for JAK1.

TL;DR: The M235T variant of the AGT is significantly associated with female hypertensives and ACE DD variant could be a risk allele for essential hypertension in south India.

TL;DR: The present molecular docking studies provided critical information on protein ligand interactions that revealed imminent information on chemical features essential to inhibiting BACE-1, and proposed structure based pharmacophore features that hold well as potent Bace-1 inhibitors.

TL;DR: The protein-protein docking and dynamics studies were carried out to analyze the effect of Thr9Ala mutation of TOPK in the two protein complex formation and it shows that the wild type complex is more stable when compared with the mutant type.