Molecular modelling and evaluation of antihyperthyroid drug compound

Abstract

Drug targeting will play an essential function in drug discovery in the coming years, as the amount of structural records on protein targets keeps to rise. However, the conventional technique of drug discovery, primarily based upon random screening and systematic amendment of leads through medicinal chemistry strategies, will probably no longer to be deserted absolutely because it has doubtlessly vital advantages over shape-based strategies-specifically leads diagnosed in this way are unlikely to show a near resemblance to the herbal Ligand or substrate. They might also have gained in terms of patent novelty and selectivity. Such leads could then function the basis of structure-based totally, rational amendment programs, wherein their interactions with target receptors are described and improved molecules are designed. In the present study, an attempt is made to find suitable and better analogues of drugs used in the treatment of hyperthyroidism.