Abstract
COMPUTER AIDED DRUG DESIGN: A COMPUTATIONAL METHOD FOR DRUG DISCOVERY AND DEVELOPMENT

*Ike O. C., Okoro U. C. and Ugwu M. C.

ABSTRACT

Computer aided drug design (CADD) or insilico design is the application of computational or computer modeling in drug design. Drug is a biomolecule that can bind to a target receptor resulting to pharmacological response. The purpose of drug design is to predict the binding ability and strength at which a molecule can bind to target of an interest. Computer aided drug design may be applied at stages such as hit identification using virtual screening, hit-to-lead optimization of affinity and selectivity and lead optimization. Utilizing computational techniques have given rise to remarkable progress in drug discovery.

Keywords: Computer aided drug design, insilico design, ligand, drug discovery.


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