Editorial: Interaction and dynamics of biological molecules

Vetrivel, Umashankar (2024) Editorial: Interaction and dynamics of biological molecules. Editorial: Interaction and dynamics of biological molecules, 12 (143980).

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Abstract

The investigation of molecular interactions and dynamics of biological macromolecules is a cornerstone of contemporary biomedical research, offering profound insights into the fundamental mechanisms of life and disease. This research delves into the critical role of protein-protein interactions and protein dynamics in cellular function, disease pathogenesis, and therapeutic development. By leveraging advanced computational techniques such as molecular dynamics (MD) simulations, docking studies, and in silico analyses, researchers can decode the complex behaviors of proteins and their interactions at an atomic level, facilitating the design of targeted and effective therapeutic strategies. This method is crucial for identifying potential drug candidates by predicting their binding affinity to target proteins, which is essential for their therapeutic efficacy. They facilitate the identification of deleterious mutations in TOP2A, evaluation of nutraceuticals for glioma treatment, design of a protein-based vaccine for breast cancer, and understanding temperature effects on SARS-CoV-2 interaction. By accurately predicting protein-drug interactions, these computational approaches guide the selection of promising candidates, enhance therapeutic efficacy, and accelerate the drug discovery process, ultimately contributing to the development of more targeted and effective treatments for various diseases. Understanding the precise manner in which a drug interacts with its target protein is crucial for optimizing its efficacy and minimizing off-target effects

Affiliation:	ICMR-National Institute for Research in Tubercuosis
Item Type:	Article
URI:	http://eprints.nirt.res.in/id/eprint/2170

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