Molecular Docking of Enzyme Inhibitors: A Computational Tool for Structure-Based Drug Design

Autor/inn/en	Rudnitskaya, Aleksandra; Torok, Bela; Torok, Marianna
Titel	Molecular Docking of Enzyme Inhibitors: A Computational Tool for Structure-Based Drug Design
Quelle	In: Biochemistry and Molecular Biology Education, 38 (2010) 4, S.261-265 (5 Seiten)Infoseite zur Zeitschrift PDF als Volltext Verfügbarkeit
Sprache	englisch
Dokumenttyp	gedruckt; online; Zeitschriftenaufsatz
ISSN	1470-8175
DOI	10.1002/bmb.20392
Schlagwörter	Biochemistry; Science Instruction; Drug Therapy; Pharmacology; Molecular Structure; Molecular Biology; Undergraduate Study; College Science; Science Laboratories; Computation; Computer Uses in Education + Suchen Sie Ihr Suchwort? Biochemie; Teaching of science; Science education; Natural sciences Lessons; Naturwissenschaftlicher Unterricht; Arzneikunde; Molekularbiologie; Grundstudium; Computernutzung
Abstract	Molecular docking is a frequently used method in structure-based rational drug design. It is used for evaluating the complex formation of small ligands with large biomolecules, predicting the strength of the bonding forces and finding the best geometrical arrangements. The major goal of this advanced undergraduate biochemistry laboratory exercise is to illustrate the importance and application of this tool. Students carry out the computational modeling of the interaction of acetylcholinesterase and its inhibitor, tacrine, and learn about the concepts of protein structure, enzyme-inhibitor interactions, intermolecular forces, and role of molecular design in drug-development. (Contains 4 figures and 1 table.) (As Provided).
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Erfasst von	ERIC (Education Resources Information Center), Washington, DC
Update	2017/4/10