MB Faculty Publications for June 2022

Parthasarathy S, Fehr AR. PARP14: A key ADP-ribosylating protein in host-virus interactions? PLoS Pathog. 2022 Jun 9;18(6):e1010535. PMID: 35679255; PMCID: PMC9182250.

Sherrill LM, Joya EE, Walker A, Roy A, Alhammad YM, Atobatele M, Wazir S, Abbas G, Keane P, Zhuo J, Leung AKL, Johnson DK, Lehtio L, Fehr AR, Ferraris D. Design, synthesis and evaluation of inhibitors of the SARS-CoV-2 nsp3 macrodomain. Bioorg Med Chem. 2022 Aug 1;67:116788. PMID: 35597097; PMCID: PMC9093066.

Roy A, Alhammad YM, McDonald P, Johnson DK, Zhuo J, Wazir S, Ferraris D, Lehtiö L, Leung AKL, Fehr AR. Discovery of compounds that inhibit SARS-CoV-2 Mac1-ADP-ribose binding by high-throughput screening. Antiviral Res. 2022 Jul;203:105344. PMID: 35598780; PMCID: PMC9119168.

Comar CE, Otter CJ, Pfannenstiel J, Doerger E, Renner DM, Tan LH, Perlman S, Cohen NA, Fehr AR, Weiss SR. MERS-CoV endoribonuclease and accessory proteins jointly evade host innate immunity during infection of lung and nasal epithelial cells. Proc Natl Acad Sci U S A. 2022 May 24;119(21):e2123208119. PMID: 35594398; PMCID: PMC9173776.

Pawnikar S, Magenheimer BS, Munoz EN, Maser RL, Miao Y. Mechanism of tethered agonist-mediated signaling by polycystin-1. Proc Natl Acad Sci U S A. 2022 May 10;119(19):e2113786119. PMID: 35522707; PMCID: PMC9171645.

Bhattarai A, Devkota S, Do HN, Wang J, Bhattarai S, Wolfe MS, Miao Y. Mechanism of Tripeptide Trimming of Amyloid beta-Peptide 49 by gamma-Secretase. J Am Chem Soc. 2022 Apr 13;144(14):6215-6226. PMID: 35377629.

Pawnikar S, Miao Y. Mechanism of Peptide Agonist Binding in CXCR4 Chemokine Receptor. Front Mol Biosci. 2022 Mar 11;9:821055. PMID: 35359589; PMCID: PMC8963245.

Do HN, Wang J, Bhattarai A, Miao Y. GLOW: A Workflow Integrating Gaussian-Accelerated Molecular Dynamics and Deep Learning for Free Energy Profiling. J Chem Theory Comput. 2022 Mar 8;18(3):1423-1436. PMID: 35200019.

Wang J, Miao Y. Protein-Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and Kinetics. J Chem Theory Comput. 2022 Mar 8;18(3):1275-1285. PMID: 35099970.