Title : Design, synthesis and molecular modeling of pyrazole-quinoline-pyridine hybrids as a new class of antimicrobial and anticancer agents.

Pub. Date : 2014 Apr 9

PMID : 24607998






2 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 In the molecular modeling study, compound 7k was bound in to the active pocket of EGFR with three hydrogen bond and one pi-cation interaction with minimum binding energy DeltaGb = -54.6913 kcal/mol, as well as compound 7b was bound in to the active site of FabH with hydrogen bond and pi-sigma interactions with minimum binding energy DeltaGb = -45.9125 kcal/mol. Hydrogen epidermal growth factor receptor Homo sapiens
2 In the molecular modeling study, compound 7k was bound in to the active pocket of EGFR with three hydrogen bond and one pi-cation interaction with minimum binding energy DeltaGb = -54.6913 kcal/mol, as well as compound 7b was bound in to the active site of FabH with hydrogen bond and pi-sigma interactions with minimum binding energy DeltaGb = -45.9125 kcal/mol. Hydrogen epidermal growth factor receptor Homo sapiens