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Bioorganic and Medicinal Chemistry Letters

Volumn 21, Issue 22, 2011, Pages 6630-6635

Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV

(6) Desheng, Liang a Jian, Gao a Yuanhua, Cheng b Wei, Cui a Huai, Zhang a Mingjuan, Ji a

a UNIVERSITY OF CHINESE ACADEMY OF SCIENCES (China)

b Tsinghua University (China)

Author keywords

Aminomethylpyrimidine inhibitors; DPP IV; MM GBSA; Molecular dynamics simulations

Indexed keywords

AMINOMETHYLPYRIMIDINE DERIVATIVE; DIPEPTIDYL PEPTIDASE IV; DIPEPTIDYL PEPTIDASE IV INHIBITOR; GLUTAMIC ACID; PYRIMIDINE DERIVATIVE; TYROSINE; UNCLASSIFIED DRUG;

AMINO ACID SUBSTITUTION; ARTICLE; BINDING AFFINITY; CHEMICAL INTERACTION; DRUG PROTEIN BINDING; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS;

DIPEPTIDYL PEPTIDASE 4; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PYRIMIDINES; THERMODYNAMICS;

EID: 80054759366 PISSN: 0960894X EISSN: 14643405 Source Type: Journal
DOI: 10.1016/j.bmcl.2011.09.093 Document Type: Article

Times cited : (18)

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