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Design of potential angiogenin inhibitors
Journal article   Peer reviewed

Design of potential angiogenin inhibitors

B J Howlin, N P Tomkinson, J Chen and G A Webb
Journal of computer-aided molecular design, Vol.8(3), pp.223-230
06/1994
PMID: 7964923

Abstract

Animals Anthracyclines Antibiotics, Antineoplastic - chemistry Binding Sites Cattle Computer Simulation Daunorubicin - chemistry Drug Design Humans Models, Molecular Molecular Structure Proteins - antagonists & inhibitors Proteins - chemistry Ribonuclease, Pancreatic - chemistry Stereoisomerism Thermodynamics
A model of angiogenin has been prepared by homology modelling, based upon the structure of ribonuclease A. This model has been used to postulate an inhibitor based upon the angiostatic agent TAN1120. The complex of ribonuclease A with a dinucleotide has been modelled and used as a guide to the binding orientation of daunomycin--the closest TAN1120 analogue for which the crystal structure and stereochemistry are available.

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