Abstract
The enzyme pantothenate synthetase panC is one of the potential new antimicrobial drug targets, but it is poorly characterized in
H. pylori
.
H. pylori
infection can cause gastric cancer and the management of
H. pylori
infection is crucial in various gastric ulcers and gastric cancer. The current study describes the use of innovative drug discovery and design approaches like comparative metabolic pathway analysis (Metacyc), exploration of database of essential genes (DEG), homology modelling, pharmacophore based virtual screening, ADMET studies and molecular dynamics simulations in identifying potential lead compounds for the
H. pylori
specific panC. The top ranked virtual hits
STOCK1N-60270
,
STOCK1N-63040
,
STOCK1N-44424
and
STOCK1N-63231
can act as templates for synthesis of new
H. pylori
inhibitors and they hold a promise in the management of gastric cancers caused by
H. pylori
.