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New insight into the control of peptic ulcer by targeting the histamine H 2 receptor
Author(s) -
Singh Vijai,
Gohil Nisarg,
RamírezGarcía Robert
Publication year - 2018
Publication title -
journal of cellular biochemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.028
H-Index - 165
eISSN - 1097-4644
pISSN - 0730-2312
DOI - 10.1002/jcb.26361
Subject(s) - cimetidine , famotidine , histamine , ramachandran plot , homology modeling , peptic ulcer , docking (animal) , pharmacology , chemistry , drug , histamine receptor , mechanism of action , receptor , computational biology , biochemistry , medicine , biology , antagonist , protein structure , in vitro , enzyme , nursing
Peptic ulcer disease is one of the major challenges in public health globally and new evidence shows that it can be controlled by targeting the histamine H 2 receptor (H 2 R). Recently, a number of H 2 R antagonists have been synthesized and used to block the action of histamine on the parietal cells in the stomach and decrease the acid production. In this study, we modeled the H 2 R by homology modeling using the 3‐D crystal structure and this model was validated based on free energy and amino acid residues present in the allowed regions of a Ramachandran plot. We used this 3‐D model for screening of highly potent drugs using molecular docking. We found cimetidine, cimetex, and famotidine as the most potent drugs based on the binding affinity of drug‐protein interactions. We also generated a cellular network for H 2 R that could be useful for better understanding of cellular mechanism and drug targets. These findings provide a new insight into the development of suitable, specific, and effective anti‐ulcer drugs for a most effective treatment of ulcerous diseases.