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A Theoretical Model to Study the Interaction Between Boronic Acids and Insulin

preprint
submitted on 02.08.2020, 11:50 and posted on 03.08.2020, 13:27 by Durgesh Kumar, Kamlesh Kumari, PRASHANT SINGH
Boronic acids are widely used in various applications in view of their ability to recognize and bind at specific sites of the biological molecules to mimic several processes. Therefore, this has attracted the researchers, academician and medical expertise to explore them. In the present work, the authors have designed a theoretical approach to study the interaction of boronic acid with insulin using computational tools. A library of boronic acids (114 compounds) are designed, optimized and interacted with insulin using computational tools i.e. iGEMDOCK. Further, their different biological activities and toxicity are determined. Results indicates the promising potential of the boronic acids on interaction with the insulin. Amongst, 114 molecules of boronic acids, 3-Benzyloxyphenylboronic acid (71) showed the best interaction with amino-acids of insulin and significant interaction was shown with the Glu21 and His5 residues. Further, these results were compared with the stabilizing agents and found to be more potent.

History

Email Address of Submitting Author

psingh@arsd.du.ac.in

Institution

Atma Ram Sanatan Dharma College

Country

India

ORCID For Submitting Author

0000-0001-9648-2275

Declaration of Conflict of Interest

There is no potential conflict of interest

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