World Journal of
Pharmaceutical and Life Sciences

IN SILICO DESIGN AND DOCKING STUDIES OF NOVEL BENZOTHIAZOLE DERIVED TRIAZOLE AS A POTENTIAL ANTIDIABETIC AGENTS

Ayisha Nitha P.*, Arunlal V. B. and Babu G.

ABSTRACT

Diabetes is one of the pre-dominant metabolic disorders all over the world. It is the prime reason of mortality and morbidity due to hyperglycaemia which is link with numerous obstacles. In the present scenario, we have attempted to design and evaluated a small library of 25 derivatives of benzothiazole in search of potent antidiabetic agents through in silico studies using Glide 5.5 extra precision (XP) maestro 12.3 Schrodinger software. Compounds F18, F25, F3, F5, F16 and F20 showed good activities on ? - glucosidase receptor. Molecular docking studies were performed to predict the binding interaction of the compounds with the active site of enzyme. Results of in-silico studies showed that most of the compound have excellent drug likeness properties, pharmacokinetic profile and are preferable as orally available drug. Hence this study provides several insights that can be adopted towards the development of novel glucosidase inhibitors and potential antidiabetic agents.

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