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Veerabhadra Vulupala on Muck Rack

Veerabhadra Vulupala

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Articles

Nicotine-Inspired, De Novo-Designed SARS-CoV-2 Main Protease Inhibitors Reveal Unique Chemistry for Covalently Conjugating Both Cysteine and Histidine Residues in the Catalytic Dyad Click to copy article link Article link copied!

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By Sandeep Atla, Veerabhadra Vulupala, Yugendar R. Alugubelli
| dx.doi.org
Introduction Click to copy section linkSection link copied! Coronavirus disease 2019 (COVID-19) is an infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). (1) First emerging in late 2019, the disease quickly spread in 2020, resulting in the COVID-19 pandemic.
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From vibrations to function: Spectroscopic detection and quantification of π-π stacking in drug-responsive protein complexes

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By Kohei Matsuda, Rui Hirasawa, Abhimanyu Thakur, Esther J. Ocola, Benjamin W. Neuman, Vladislav V. Yakovlev, Syuan-Ting Kuo, Veerabhadra Vulupala, Kaustav Khatua, Hanyuan Zhang, Xin Yan, David Russell, Shiqing Xu, Carol A. Fierke, Wenshe Ray Liu, Alexei V. Sokolov, Narangerel Altangerel
| Science Magazine Verified
Abstract Aromatic π-π stacking interactions are fundamental to protein architecture, molecular recognition, and drug efficacy, yet directly quantifying them under near-physiological conditions has remained challenging. Here, we use a recently developed spectroscopic platform, thermostable Raman interaction profiling (TRIP), that enables direct, label-free detection and quantification of aromatic π-π interactions in complex protein environments.
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From nicotine to SARS-CoV-2 antivirals with potent in vivo efficacy and a broad anti-coronavirus spectrum - Nature Communications

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By Kaustav Khatua, Sandeep Atla, Demonta D. Coleman, Lauren Blankenship Verified, Yugendar R. Alugubelli, Veerabhadra Vulupala, Xuejiao Guo, Hongjie Xia, Birte Kalveram, David Walker, Brett Hurst, Sathish Kumar, Chia-Chuan Cho, Shivangi sharma Verified, Kai Yang, Satyanarayana Nyalata, Benjamin W. Neuman, Xuping Xie, Shiqing Xu, Wenshe Ray Liu, Dorsa Rabie
| Nature Verified
Abstract Anecdotal reports about smoking that might prevent SARS-CoV-2 infection inspire the search for nicotine and its pyrolysis products as inhibitors of the SARS-CoV-2 main protease (MPro). This effort leads to the discovery of 3-vinylpyridine as an MPro inhibitor. 3-Vinylpyridine resembles part of nirmatrelvir in binding to MPro but does not involve a critical interaction with residue E166, whose mutation has led to resistance to nirmatrelvir.
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