In Silico Molecular Interaction Studies of Drugs with Human Serum Albumin–An Overview

The main focus of this paper is the use of various computational techniques and the experimental applications of computational techniques for studying the interactions of proteins with various drugs including both quantitative and qualitative aspects. Since the period of ten years, proteins are considered as the cellular target for many cytotoxic anticancer agents and now putting an eye on how various drug molecules going to interact with various proteins followed by their applications. Beyond this their advantages in the medical field for drug delivery and development are also discussed. However, few other techniques such as fluorescence and absorption spectroscopy were also put in use while studying drug-protein interactions and the docking results allow us to cross-check the modes of interaction of ligands with particular proteins. Along with this it assists to find their estimated binding affinities with target protein. Moreover, the field of molecular docking has become an area of interest among various other research branches like medicine, molecular biology, chemistry, and so on. Besides the applications and mechanisms of docking, various methods of effective and specific drug design are also enlisted and this is done to lower down their side effects and make them more efficient. Furthermore, the study of various chemical and conformational modifications that are caused by these drug-protein interactions are also discussed. Hence by using more computational methods for analysing drug-protein interactions could be the basis of future innovations in manufacturing more efficient and pocket friendly drugs.

Author(s): Anu Radha Pathania* and Mamta Devi

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