In-silico drug design approach to discover novel anti-coagulants

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ISSN : 2328-9791

In-silico drug design approach to discover novel anti-coagulants

Kashi Reddy Methuku

University of Wisconsin

Department of Chemistry and Biochemistry, University of Wisconsin, Milwaukee, WI 53211, USA

methuku@uwm.edu

In-Silico drug design tools are extensively used to improve the drug discovery program by reducing the cost associated with initial screening, exploring larger chemical space, and eliminating the non drug-like molecules at very initial stages of discovery. With advancement in the computational field and development of various computational chemistry software suites, in-silico approach emerges with greater predictive ability in identifying the initial lead candidate. Molecular docking and virtual screening are more commonly used these days to identify and design novel inhibitors with a rational design approach. Availability of crystal structures of various proteins via open sources....