Pharmacophore modeling, virtual screening and docking studies to identify novel HNMT inhibitors

Journal of the Taiwan Institute of Chemical Engineers

Volumn 43, Issue 4, 2012, Pages 493-503

  Elumalai, Pavadai ^a   Liu, Hsuan Liang ^a   Zhao, Jian Hua ^b   Chen, Wilson ^b   Lin, Dar Shong ^a,c,d   Chuang, Chih Kuang ^a,c,e   Tsai, Wei Bor ^f   Ho, Yih ^g  

^a NATIONAL TAIPEI UNIVERSITY OF TECHNOLOGY   (Taiwan)

^b INSTITUTE OF NUCLEAR ENERGY RESEARCH   (Taiwan)

^c MACKAY MEMORIAL HOSPITAL   (Taiwan)

^d NURSING AND MANAGEMENT COLLEGE   (Taiwan)

^e FU JEN CATHOLIC UNIVERSITY   (Taiwan)

^f NATIONAL TAIWAN UNIVERSITY   (Taiwan)

^g TAIPEI MEDICAL UNIVERSITY   (Taiwan)

Author keywords

Consensus score; Histamine N methyltransferase; Molecular docking; Pharmacophore model; Virtual screening

Indexed keywords

CONSENSUS SCORE; HISTAMINE N-METHYLTRANSFERASE; MOLECULAR DOCKING; PHARMACOPHORE MODELS; VIRTUAL SCREENING;

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; COST ACCOUNTING; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR MODELING; PHARMACODYNAMICS; SCAFFOLDS; STATISTICAL TESTS;

THREE DIMENSIONAL;

EID: 84862778272     PISSN: 18761070     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jtice.2012.01.004     Document Type: Article

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