NotesFAQContact Us
Search Tips
Peer reviewed Peer reviewed
Direct linkDirect link
ERIC Number: EJ895552
Record Type: Journal
Publication Date: 2010
Pages: 5
Abstractor: As Provided
Reference Count: 11
ISSN: ISSN-1470-8175
Molecular Docking of Enzyme Inhibitors: A Computational Tool for Structure-Based Drug Design
Rudnitskaya, Aleksandra; Torok, Bela; Torok, Marianna
Biochemistry and Molecular Biology Education, v38 n4 p261-265 Jul-Aug 2010
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.)
John Wiley & Sons, Inc. Subscription Department, 111 River Street, Hoboken, NJ 07030-5774. Tel: 800-825-7550; Tel: 201-748-6645; Fax: 201-748-6021; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: N/A
Audience: Teachers
Language: English
Sponsor: N/A
Authoring Institution: N/A