In silico design of human IMPDH inhibitors using pharmacophore mapping and molecular docking approaches

Computational and Mathematical Methods in Medicine

Volumn 2015, Issue , 2015, Pages

  Li, Rui Juan ^a   Wang, Ya Li ^b   Wang, Qing He ^a   Wang, Jian ^a   Cheng, Mao Sheng ^a  

^a SHENYANG PHARMACEUTICAL UNIVERSITY   (China)

^b INSTITUTE OF MEDICINAL BIOTECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; LEAD COMPOUNDS; MAPPING; MOLECULAR MODELING;

HOMO SAPIENS; KEY RESIDUES; MOLECULAR DOCKING; MONOPHOSPHATES; PHARMACOPHORE MAPPING; PHARMACOPHORES; SCORING METHODS; THERAPEUTIC STRATEGY;

PHARMACODYNAMICS;

INOSINATE DEHYDROGENASE; INOSINATE DEHYDROGENASE INHIBITOR; ENZYME INHIBITOR; GUANOSINE; IMPDH1 PROTEIN, HUMAN; LIGAND;

ALGORITHM; ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; DRUG STRUCTURE; ENZYME ACTIVE SITE; MOLECULAR DOCKING; MOLECULE; PHARMACOPHORE; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG DESIGN; FACTUAL DATABASE; HUMAN; HYDROGEN BOND; PROTEIN CONFORMATION; REPRODUCIBILITY;

HOMO SAPIENS;

ALGORITHMS; DATABASES, FACTUAL; DRUG DESIGN; ENZYME INHIBITORS; GUANOSINE; HUMANS; HYDROGEN BONDING; IMP DEHYDROGENASE; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; REPRODUCIBILITY OF RESULTS;

EID: 84924272799     PISSN: 1748670X     EISSN: 17486718     Source Type: Journal    
DOI: 10.1155/2015/418767     Document Type: Article

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