ROLE OF BIOINFORMATICS TOOLS IN IN-SILICO DRUG DESIGNING ON SARS AND TOXICITY PREDICTION
Pooja Goyal · 2013
Drug designing is an inventive process of finding new medications based on the biological properties of drug targets. These targets may be proteins, enzymes, lipid etc. Here, we discussed about structure based drug designing (in silico approach) where target molecule structure should be known. In this project design a drug for severe acute respiratory syndrome which is caused by SARS coronavirus. Main proteinase enzyme of SARS coronavirus is consider as target (cause) for this disease. A new ligand molecule is also designed to inhibit the potency of target molecule. Here, Dimethyl sulfoxide is considered as the lead because it has the certain biological properties to inhibit the potency of main proteinase enzyme after binding on the active site of target molecule. Several tools and softwares like: blast, procheck, ligsite, ligbuilder, modeler, swiss pdb viewer, rasmol, quantum play an important role in designing of a new drug based on in silico approach.