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

Appleby TC(1999)The structure of human 5′-deoxy-5′-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis Structure (London, England: 1993) 7 629-641

Erion MD(2019)Identification of novel urease inhibitors: pharmacophore modeling, virtual screening and molecular docking studies J Biomol Struct Dyn 37 4312-4326

Ealick SE(2016)Neutron structures of the Proc Natl Acad Sci USA 113 13756-13761

Arora R(2019) 5′-methylthioadenosine nucleosidase highlight proton sharing and protonation states Molecules (Basel, Switzerland) 24 2414-s43

Issar U(2017)A ligand-based virtual screening method using direct quantification of generalization ability Pharmacogn J 9 s35-3281

Kakkar R(2004)Molecular docking ADMET analysis and dynamics approach to potent natural inhibitors against sex hormone binding globulin in male infertility J Med Chem 47 3275-117

Banco MT(2018)Targeting the polyamine pathway with transition-state analogue inhibitors of 5′-methylthioadenosine phosphorylase ACS Infect Dis 4 107-1808

Mishra V(1999)Immucillins in infectious diseases Blood 93 1798-216

Ostermann A(2010)Vitamin K-dependent biosynthesis of gamma-carboxyglutamic acid J Chem Inf Model 50 205-734

Schrader TE(2007)Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation ACS Chem Biol 2 725-257

Appleby TC(1999)The structure of human 5′-deoxy-5′-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis Structure (London, England: 1993) 7 629-641

Erion MD(2019)Identification of novel urease inhibitors: pharmacophore modeling, virtual screening and molecular docking studies J Biomol Struct Dyn 37 4312-4326

Ealick SE(2016)Neutron structures of the Proc Natl Acad Sci USA 113 13756-13761

Arora R(2019) 5′-methylthioadenosine nucleosidase highlight proton sharing and protonation states Molecules (Basel, Switzerland) 24 2414-s43

Issar U(2017)A ligand-based virtual screening method using direct quantification of generalization ability Pharmacogn J 9 s35-3281

Kakkar R(2004)Molecular docking ADMET analysis and dynamics approach to potent natural inhibitors against sex hormone binding globulin in male infertility J Med Chem 47 3275-117

Banco MT(2018)Targeting the polyamine pathway with transition-state analogue inhibitors of 5′-methylthioadenosine phosphorylase ACS Infect Dis 4 107-1808

Mishra V(1999)Immucillins in infectious diseases Blood 93 1798-216

Ostermann A(2010)Vitamin K-dependent biosynthesis of gamma-carboxyglutamic acid J Chem Inf Model 50 205-734

Schrader TE(2007)Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation ACS Chem Biol 2 725-257