Atomic level and structural understanding of natural ligands inhibiting peptide deformylase through ligand and receptor based screening, SIFT, molecular dynamics and DFT - a structural computational approach.

is a Gram-negative microaerophilic gastric pathogen, responsible for the cause of peptic ulcer around half of the global population. Although several antibiotics and combination therapies have been employed for -related gastric ulcer and cancer regiments, identifying potent inhibitors for specific targets of this bacterium will help assessing better treatment periodicity and methods to eradicate . Herein, 1,000,000 natural compounds were virtually screened against Peptide deformylase (HpPDF).

Identification of immucillin analogue natural compounds to inhibit MTAN through high throughput virtual screening and molecular dynamics simulation.

Abstract: One in every two humans is having () in stomach causing gastric ulcer. Emergence of several drugs in eliminating has paved way for emergence of multidrug resistance in them. This resistance is thriving and thereby necessitating the need of a potent drug.