Insights into the Binding of 3-(1-Phenylsulfonyl-2-methylindol-3-ylcarbonyl) Propanoic Acid to Bovine Serum Albumin: Spectroscopy and Molecular Modelling Studies

Subramani Karthikeyan, Shanmugavel Chinnathambi, Devadasan Velmurugan, Ganesan Bharanidharan, Singaravelu Ganesan

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Abstract

Serum albumin is a globular protein which is most abundant in human that binds remarkablywith wide range of drugs. A reliable prediction of protein and drug binding at the atomic level byoptical spectroscopy and molecular modeling methods provides the basis for the design of newdrug compounds. In the current study, A newly synthesized 3-(1-Phenylsulfonyl-2-methylindol-3-ylcarbonyl) propanoic acid (PA) which has a antifungal and anti bacterial effects also plays vital rolefor the nutrition, micro biome and physiology triangle. It has been reported that 90% of PA quantityis metabolized by the liver and the rest is transported into the peripheral blood, since PA has bindingcharacteristics, understanding pharmacokinetic mechanism of the drug is important. In this regard, thebinding of PA-Bovine Serum Albumin (BSA) was investigated by UV-Vis, fluorescence spectroscopyand molecular docking studies. From the experimental and modeling studies it is observed that PAcould bind BSA through the hydrophobic force, and hydrogen bonding. The current study reveals thatthe optical spectroscopy and molecular modeling techniques could be effectively used to study thedesign of new drug and understanding their pharmacokinetics.

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Nano Biomedicine and Engineering.

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