ISSN: 2048-9145

Pharmaceutical Bioprocessing

Open Access Journals On Computer-Aided Drug Designing

CADD helps scientists in minimizing the synthetic and biological testing efforts by focussing only on the most promising compounds. Besides explaining the molecular basis of therapeutic activity, it also predicts possible derivatives that would improve activity. Drug discovery and development processes being streamlined by the use of computing power. Identification and optimization of new drugs using leverage of chemical and biological information about targets and/or ligands. In silico designing of filters for the elimination of undesirable compounds with properties like poor activity and/or poor absorption, distribution, metabolism, excretion and toxicity, ADMET which facilitate selection of the most promising candidates. The main advantages of drug discovery through CADD are: For experimental testing, smaller set of compounds are selected from large compound libraries. Drug metabolism and pharmacokinetics (DMPK) properties like absorption, distribution, metabolism, excretion and the potential for toxicity (ADMET) are increased by optimization of lead compounds. Designing of novel compounds can be achieved either by “growing” starting molecules one functional group at a time or by piecing together fragments into novel chemotypes.    

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