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From vibrations to function: Spectroscopic detection and quantification of π-π stacking in drug-responsive protein complexes.
Altangerel N, Ocola EJ, Neuman BW, Yakovlev VV, Kuo ST, Vulupala VR, Khatua K, Zhang H, Yan X, Russell DH, Xu S, Fierke CA, Liu WR, Sokolov AV, Hemmer PR, Scully MO. Altangerel N, et al. Among authors: vulupala vr. Sci Adv. 2026 Apr 10;12(15):eaeb3917. doi: 10.1126/sciadv.aeb3917. Epub 2026 Apr 8. Sci Adv. 2026. PMID: 41950320 Free PMC article.
Discovery of First-in-Class PROTAC Degraders of SARS-CoV-2 Main Protease.
Alugubelli YR, Xiao J, Khatua K, Kumar S, Sun L, Ma Y, Ma XR, Vulupala VR, Atla S, Blankenship LR, Coleman D, Xie X, Neuman BW, Liu WR, Xu S. Alugubelli YR, et al. Among authors: vulupala vr. J Med Chem. 2024 Apr 25;67(8):6495-6507. doi: 10.1021/acs.jmedchem.3c02416. Epub 2024 Apr 12. J Med Chem. 2024. PMID: 38608245 Free PMC article.
Azapeptides with unique covalent warheads as SARS-CoV-2 main protease inhibitors.
Khatua K, Alugubelli YR, Yang KS, Vulupala VR, Blankenship LR, Coleman D, Atla S, Chaki SP, Geng ZZ, Ma XR, Xiao J, Chen PH, Cho CD, Sharma S, Vatansever EC, Ma Y, Yu G, Neuman BW, Xu S, Liu WR. Khatua K, et al. Among authors: vulupala vr. Antiviral Res. 2024 May;225:105874. doi: 10.1016/j.antiviral.2024.105874. Epub 2024 Mar 28. Antiviral Res. 2024. PMID: 38555023 Free PMC article.
Discovery of First-in-Class PROTAC Degraders of SARS-CoV-2 Main Protease.
Alugubelli YR, Xiao J, Khatua K, Kumar S, Ma Y, Ma XR, Vulupala VR, Atla SR, Blankenship L, Coleman D, Neuman BW, Liu WR, Xu S. Alugubelli YR, et al. Among authors: vulupala vr. bioRxiv [Preprint]. 2023 Sep 29:2023.09.29.560163. doi: 10.1101/2023.09.29.560163. bioRxiv. 2023. Update in: J Med Chem. 2024 Apr 25;67(8):6495-6507. doi: 10.1021/acs.jmedchem.3c02416. PMID: 37808777 Free PMC article. Updated. Preprint.
An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Khatua K, Alugubelli YR, Yang KS, Vulupala VR, Blankenship LR, Coleman DD, Atla S, Chaki SP, Geng ZZ, Ma XR, Xiao J, Chen PC, Cho CD, Vatansever EC, Ma Y, Yu G, Neuman BW, Xu S, Liu WR. Khatua K, et al. Among authors: vulupala vr. bioRxiv [Preprint]. 2023 Apr 12:2023.04.11.536467. doi: 10.1101/2023.04.11.536467. bioRxiv. 2023. PMID: 37090597 Free PMC article. Preprint.
A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
Geng ZZ, Atla S, Shaabani N, Vulupala VR, Yang KS, Alugubelli YR, Khatua K, Chen PC, Xiao J, Blankenship LR, Ma XR, Vatansever EC, Cho CC, Ma Y, Allen R, Ji H, Xu S, Liu WR. Geng ZZ, et al. Among authors: vulupala vr. bioRxiv [Preprint]. 2023 Jan 18:2023.01.17.524469. doi: 10.1101/2023.01.17.524469. bioRxiv. 2023. Update in: J Med Chem. 2023 Aug 24;66(16):11040-11055. doi: 10.1021/acs.jmedchem.3c00221. PMID: 36711580 Free PMC article. Updated. Preprint.