Drug design mechanism-based

T. 1. Kalman, Ed., Drug Action and Design Mechanism-Based Enzyme Inhibitors. Elsevier North-Holland, New York, 1979. 

Kalman Tl, ed. Drug Action Design—Mechanism-Based Enzyme Inhibitors. New York Elsevier Science, 1979. 

In general the relevance of predictions of structure-function relationships based on molecular modeling and structural bioinformatics are threefold. First they can be used to answer the question of which partners (proteins) could interact. Second, predictions generate new hypotheses about binding site, about molecular mechanisms of activation and interaction between two partners, and can lead to new ideas for pharmacological intervention. The third aim is to use the predictions for structure-based drug design. 

Ghanbari, F., Rowland-Yeo, K.. Bloomer. J.C., Clarke, S.E., Lennard, M.S., Tucker, G.T. and Rostami-Hodjegan, A. (2006) A critical evaluation of the experimental design of studies of mechanism based enzyme inhibition, with implications for in vitrO in vivo extrapolation. Current Drug Metabolism, 1, 315-334. 

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