Nataraj Sekhar Pagadala

TL;DR: Docking against homology-modeled targets also becomes possible for proteins whose structures are not known, and the druggability of the compounds and their specificity against a particular target can be calculated for further lead optimization processes.

TL;DR: Functional analysis and gene expression profiling data suggest that members of the P450 families enriched in model basidiomycetes are catalytically versatile and possibly involved in fungal colonization of plant material.

TL;DR: Phylogenetic and functional analyses revealed the functional conservation of P450s despite belonging to different biological kingdoms, suggesting the adherence of P 450s to their innate function such as their involvement in either generation or oxidation of steroids and structurally related molecules, fatty acids and terpenoids.

TL;DR: A large number of thermostable-P450s from two thermophilic biomass-degrading fungi, Myceliophthora thermophila and Thielavia terrestris, and Thermophilic ascomycetes P450s are of potential interest from a structural, mechanistic and biotechnological point of view.

TL;DR: A docking study employed using structural X-ray solvent confirmed that water is involved in ligand stabilization and phosphate group interaction in thiamine–prion binding, and was consistent with the pharmacophore model ofThiamine-binding proteins.