Rational drug design approach

GR Marshall, CD Barry, HE Bosshard, RA Dammkoehler, DA Dunn. The conformational parameter m drug design The active analog approach. ACS Symp Ser 112 205-226, 1979. YC Martin. Overview of concepts and methods in computer-assisted rational drug design. Methods Enzymol 203 587-613, 1991. 

The design of a bioreductive alkylating agent possessing antitumor activity described above validates our approach to rational drug design. Namely, the putative... 

E., and Mandine, E. SAR and X-ray -a new approach combining fragment-based screening and rational drug design application to the discovery of nanomolar inhibitors of src SH2. 

In fact, QSAR has now become one of the most powerful tools of rational drug design, an approach that is used in the development of a host of new products in pharmacy and other fields of biological research. 

The chemical structure of levofloxacin derivatives was optimized and calculated using molecular mechanics and quantum chemical methods (05MI33). A novel approach (TOMOCOMD-CARDD) to the computer-aided rational drug design method indicated that compound 158 (KRQ10099) was expected to be exhibited antibacterial activity (06JMM255). 

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