Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approaches

Molecules

Volumn 15, Issue 4, 2010, Pages 2791-2813

  Punkvang, Auradee ^a   Saparpakorn, Patchreenart ^b   Hannongbua, Supa ^b   Wolschann, Peter ^c   Pungpo, Pornpan ^a  

^a UBON RATCHATHANI UNIVERSITY   (Thailand)

^b KASETSART UNIVERSITY   (Thailand)

^c UNIVERSITY OF VIENNA   (Austria)

Author keywords

CoMFA; CoMSIA; Docking; Isoniazid; Quantum chemical calculations

Indexed keywords

BACTERIAL PROTEIN; DRUG DERIVATIVE; INHA PROTEIN, MYCOBACTERIUM; ISONIAZID; OXIDOREDUCTASE; TUBERCULOSTATIC AGENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DRUG EFFECT; ENZYMOLOGY; MYCOBACTERIUM TUBERCULOSIS; STRUCTURE ACTIVITY RELATION;

ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; COMPUTER SIMULATION; ISONIAZID; MODELS, CHEMICAL; MYCOBACTERIUM TUBERCULOSIS; OXIDOREDUCTASES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 77951838167     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules15042791     Document Type: Article

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