06/04/2024
~One more significant contribution from Bioinformatics Centre-ACBR~
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Team of researchers from Bioinformatics Centre ACBR, University of Delhi , Unveil Curcumin's Potential as Inhibitor Against SARS-CoV-2 Variants' Spike Protein Interaction
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In the ongoing efforts to find a remedy for the SARS CoV2 pathogen, researchers from the Dr. B R Ambedkar Center for Biomedical Research (ACBR), University of Delhi, led by Prof. Daman Saluja and Prof. Madhu Chopra, have unveiled significant findings published in the Journal of Biomolecular Structure & Dynamics. Their study focused on the structure-based drug discovery, specifically targeting inhibitors for the interaction between the SARS-CoV-2 spike protein and ACE2 receptors.
The research article, first authored by Dr. Ravi Kant and with significant contributions from Dr. Rahul Kaushik from the Technology Innovation Institute in Abu Dhabi, delved into an exhaustive investigation. Their prime focus was to uncover the potential of natural compounds that possess the property to thwart the interaction between the receptor binding domain (RBD(S1)) and human angiotensin-converting enzyme 2 (hACE2) domains, particularly within the Delta and Omicron variants.
Since the emergence of the COVID-19 pandemic, the virus has undergone dynamic evolutionary changes, resulting in a myriad of variants categorized by the World Health Organization (WHO) as variants of interest (VOI), variants under monitoring (VUM), and variants of concern (VOC). Notably, five VOCs (Alpha, Beta, Delta, Gamma, and Omicron) and additional VOIs have been reported globally, necessitating targeted and adaptable therapeutic approaches.
The team's research centers around Curcumin, a natural compound that exhibited promising inhibitory potential against the RBD(S1)-hACE2 interaction, particularly for the Delta and Omicron variants. Employing cutting-edge computational methodologies, their study presented compelling evidence showcasing Curcumin's efficacy in hindering these interactions compared to other lead compounds.
What's especially intriguing is the team's exploration of how mutations in the RBD(S1) of VOCs, specifically the Delta and Omicron variants, significantly impact the structure of the Spike protein, altering its binding affinity to the hACE2 receptor. Molecular docking and Molecular Dynamics (MD) simulations provided substantial support for the stability of the docked complexes, reinforcing the study's findings.
This innovative research marks a crucial step forward in understanding the interplay between SARS-CoV-2 variants and potential therapeutic interventions. It lays a solid foundation for further investigations into how these structural alterations influence drug molecules' efficacy and their potential therapeutic impact in vivo.
These findings hold immense promise in the ongoing battle against COVID-19, offering a potential avenue for the development of targeted therapies and interventions tailored to combat the evolving landscape of SARS-CoV-2 variants.