Computational and molecular modeling evaluation of the structural basis for tubulin polymerization inhibition by colchicine site agents

The computer-automated structure evaluation programs MultiCASE and CASE were used to perform a quantitative structure-activity relationship study on tubulin polymerization inhibitors. A learning set of 536 chemicals (202 active, 27 marginal, and 307 inactive), built using IC 50 values for inhibition...

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Veröffentlicht in:	Bioorganic & medicinal chemistry 1996-10, Vol.4 (10), p.1659-1671
Hauptverfasser:	ter Haar, Ernst, Rosenkranz, Herbert S., Hamel, Ernest, Day, Billy W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Antineoplastic Agents, Phytogenic - chemistry Bibenzyls - chemistry Binding Sites Colchicine - chemistry Colchicine - pharmacology Models, Molecular Paclitaxel - metabolism Podophyllotoxin - chemistry Protein Conformation Software Stilbenes Tubulin - chemistry Tubulin Modulators
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