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Non-nucleoside inhibitors of HIV-1 reverse transcriptase: molecular modeling and x-ray structure investigations
Journal of Medicinal Chemistry1993Vol. 36(6), pp. 726–732
Citations Over TimeTop 10% of 1993 papers
Wolfgang Schäfer, Walter-Gunar Friebe, Herbert Leinert, Alfred Mertens, Thomas S. van der Poll, Wolfgang von der Saal, Harald Zilch, B. Nuber, Manfred L. Ziegler
Abstract
The structural features of a new class of non-nucleoside HIV-1 reverse transcriptase inhibitors (3) are presented. Comparison of the structural and electronic properties with those of TIBO (1) and Nevirapine (2) yields a common three-dimensional model. This model permits the improvement of the lead compound 3 by chemical modification (5,6). Additionally, two new types of inhibitors (4, 7) with similar biological activity can be derived from this model. The structure of the new compounds, including their absolute configuration, are determined by X-ray crystallography.
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