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000614237 245__ $$aSARS-CoV-2 Mpro oligomerization as a potential target for therapy
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000614237 520__ $$aThe main protease (Mpro) of SARS-CoV-2 is critical in the virus's replication cycle, facilitating the maturation of polyproteins into functional units. Due to its conservation across taxa, Mpro is a promising target for broad-spectrum antiviral drugs. Targeting Mpro with small molecule inhibitors, such as nirmatrelvir combined with ritonavir (Paxlovid™), which the FDA has approved for post-exposure treatment and prophylaxis, can effectively interrupt the replication process of the virus. A key aspect of Mpro's function is its ability to form a functional dimer. However, the mechanics of dimerization and its influence on proteolytic activity remain less understood. In this study, we utilized biochemical, structural, and molecular modelling approaches to explore Mpro dimerization. We evaluated critical residues, specifically Arg4 and Arg298, that are essential for dimerization. Our results show that changes in the oligomerization state of Mpro directly affect its enzymatic activity and dimerization propensity. We discovered a synergistic relationship influencing dimer formation, involving both intra- and intermolecular interactions. These findings highlight the potential for developing allosteric inhibitors targeting Mpro, offering promising new directions for therapeutic strategies.   
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000614237 7001_ $$aPlewka, Jacek$$b1
000614237 7001_ $$aMenezes, Filipe$$b2
000614237 7001_ $$aBielecka, Ewa$$b3
000614237 7001_ $$aChykunova, Yuliya$$b4
000614237 7001_ $$aPustelny, Katarzyna$$b5
000614237 7001_ $$0P:(DE-H253)PIP1030856$$aNiebling, Stephan$$b6
000614237 7001_ $$0P:(DE-HGF)0$$aGarcia, Angelica Struve$$b7
000614237 7001_ $$aGarcia-Alai, Maria$$b8
000614237 7001_ $$aPopowicz, Grzegorz M.$$b9
000614237 7001_ $$0P:(DE-H253)PIP1100543$$aCzarna, Anna$$b10$$eCorresponding author
000614237 7001_ $$0P:(DE-HGF)0$$aKantyka, Tomasz$$b11$$eCorresponding author
000614237 7001_ $$0P:(DE-H253)PIP1100531$$aPyrc, Krzysztof$$b12$$eCorresponding author
000614237 77318 $$2Crossref$$3journal-article$$a10.1016/j.ijbiomac.2024.131392$$bElsevier BV$$d2024-05-01$$p131392$$tInternational Journal of Biological Macromolecules$$v267$$x0141-8130$$y2024
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000614237 999C5 $$2Crossref$$o2023$$y2023
000614237 999C5 $$1Goyal$$2Crossref$$9-- missing cx lookup --$$a10.1021/acscombsci.0c00058$$p297 -$$tACS Comb. Sci.$$v22$$y2020
000614237 999C5 $$1Hu$$2Crossref$$oHu 2022$$y2022
000614237 999C5 $$1Jin$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41586-020-2223-y$$p289 -$$tNature$$v582$$y2020
000614237 999C5 $$1Hu$$2Crossref$$oHu 2022$$y2022
000614237 999C5 $$1Hu$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.virol.2009.03.034$$p324 -$$tVirology$$v388$$y2009
000614237 999C5 $$1Douangamath$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41467-020-18709-w$$p5047 -$$tNat. Commun.$$v11$$y2020
000614237 999C5 $$1Noske$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.jmb.2021.167118$$tJ. Mol. Biol.$$v433$$y2021
000614237 999C5 $$1Greasley$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.jbc.2022.101972$$tJ. Biol. Chem.$$v298$$y2022
000614237 999C5 $$1Lee$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41467-022-32854-4$$p5196 -$$tNat. Commun.$$v13$$y2022
000614237 999C5 $$1Wu$$2Crossref$$9-- missing cx lookup --$$a10.1107/S0907444913001315$$p747 -$$tActa Crystallogr. D Biol. Crystallogr.$$v69$$y2013
000614237 999C5 $$1Anand$$2Crossref$$9-- missing cx lookup --$$a10.1093/emboj/cdf327$$p3213 -$$tEMBO J.$$v21$$y2002
000614237 999C5 $$1Shi$$2Crossref$$9-- missing cx lookup --$$a10.1074/jbc.M311744200$$p24765 -$$tJ. Biol. Chem.$$v279$$y2004
000614237 999C5 $$1Nashed$$2Crossref$$9-- missing cx lookup --$$a10.1038/s42003-022-03910-y$$p976 -$$tCommun Biol$$v5$$y2022
000614237 999C5 $$1Shi$$2Crossref$$9-- missing cx lookup --$$a10.1111/j.1742-4658.2006.05130.x$$p1035 -$$tFEBS J.$$v273$$y2006
000614237 999C5 $$1Nashed$$2Crossref$$9-- missing cx lookup --$$a10.1038/s42003-022-03084-7$$p160 -$$tCommun Biol$$v5$$y2022
000614237 999C5 $$1Citarella$$2Crossref$$9-- missing cx lookup --$$a10.3390/biom11040607$$p607 -$$tBiomolecules$$v11$$y2021
000614237 999C5 $$1Citarella$$2Crossref$$9-- missing cx lookup --$$a10.3390/biom13091339$$p1339 -$$tBiomolecules$$v13$$y2023
000614237 999C5 $$1Owen$$2Crossref$$oOwen 1979$$y1979
000614237 999C5 $$1Hu$$2Crossref$$9-- missing cx lookup --$$a10.1021/acscentsci.3c00538$$p1658 -$$tACS Cent. Sci.$$v9$$y2023
000614237 999C5 $$1Moghadasi$$2Crossref$$9-- missing cx lookup --$$a10.1126/sciadv.ade8778$$tSci. Adv.$$v9$$y2023
000614237 999C5 $$1Joyce$$2Crossref$$9-- missing cx lookup --$$a10.1007/s00044-022-02951-6$$p1637 -$$tMed. Chem. Res.$$v31$$y2022
000614237 999C5 $$1Lee$$2Crossref$$9-- missing cx lookup --$$a10.1128/mbio.00869-22$$tMBio$$v13$$y2022
000614237 999C5 $$1Kaptan$$2Crossref$$oKaptan 2022$$y2022
000614237 999C5 $$1Ip$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.ebiom.2023.104559$$tEBioMedicine$$v91$$y2023
000614237 999C5 $$1Sacco$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41422-022-00640-y$$p498 -$$tCell Res.$$v32$$y2022
000614237 999C5 $$1Niebling$$2Crossref$$9-- missing cx lookup --$$a10.3389/fmolb.2022.882288$$tFront. Mol. Biosci.$$v9$$y2022
000614237 999C5 $$1Burastero$$2Crossref$$9-- missing cx lookup --$$a10.1107/S2059798321008998$$p1241 -$$tActa Crystallogr D Struct Biol$$v77$$y2021
000614237 999C5 $$1Kabsch$$2Crossref$$9-- missing cx lookup --$$a10.1107/S0907444909047337$$p125 -$$tActa Crystallogr. D Biol. Crystallogr.$$v66$$y2010
000614237 999C5 $$1McCoy$$2Crossref$$9-- missing cx lookup --$$a10.1107/S0021889807021206$$p658 -$$tJ. Appl. Cryst.$$v40$$y2007
000614237 999C5 $$1Emsley$$2Crossref$$9-- missing cx lookup --$$a10.1107/S0907444910007493$$p486 -$$tActa Crystallogr. D Biol. Crystallogr.$$v66$$y2010
000614237 999C5 $$1Joosten$$2Crossref$$9-- missing cx lookup --$$a10.1107/S2052252514009324$$p213 -$$tIUCrJ$$v1$$y2014
000614237 999C5 $$1Pettersen$$2Crossref$$9-- missing cx lookup --$$a10.1002/jcc.20084$$p1605 -$$tJ. Comput. Chem.$$v25$$y2004
000614237 999C5 $$1Abraham$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.softx.2015.06.001$$p19 -$$tSoftwareX$$v1–2$$y2015
000614237 999C5 $$1Huang$$2Crossref$$9-- missing cx lookup --$$a10.1002/jcc.23354$$p2135 -$$tJ. Comput. Chem.$$v34$$y2013
000614237 999C5 $$1MacKerell$$2Crossref$$9-- missing cx lookup --$$a10.1021/jp973084f$$p3586 -$$tJ. Phys. Chem. B$$v102$$y1998
000614237 999C5 $$1Lemkul$$2Crossref$$9-- missing cx lookup --$$a10.33011/livecoms.1.1.5068$$tLiving J Comput Mol Sci$$v1$$y2019
000614237 999C5 $$1Lange$$2Crossref$$9-- missing cx lookup --$$a10.1002/prot.20784$$p1053 -$$tFunction, and Bioinformatics$$v62$$y2006
000614237 999C5 $$1Menezes$$2Crossref$$9-- missing cx lookup --$$a10.1021/acs.jcim.2c00757$$p3685 -$$tJ. Chem. Inf. Model.$$v62$$y2022
000614237 999C5 $$1Bannwarth$$2Crossref$$9-- missing cx lookup --$$a10.1021/acs.jctc.8b01176$$p1652 -$$tJ. Chem. Theory Comput.$$v15$$y2019
000614237 999C5 $$1Ehlert$$2Crossref$$9-- missing cx lookup --$$a10.1021/acs.jctc.1c00471$$p4250 -$$tJ Chem Theory Comput$$v17$$y2021
000614237 999C5 $$1Pettersen$$2Crossref$$9-- missing cx lookup --$$a10.1002/pro.3943$$p70 -$$tProtein Sci.$$v30$$y2021
000614237 999C5 $$1Goddard$$2Crossref$$9-- missing cx lookup --$$a10.1002/pro.3235$$p14 -$$tProtein Sci.$$v27$$y2018
000614237 999C5 $$1Wu$$2Crossref$$9-- missing cx lookup --$$a10.1007/s00249-021-01513-9$$p403 -$$tEur. Biophys. J.$$v50$$y2021
000614237 999C5 $$1Huang$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41392-023-01392-w$$p128 -$$tSignal Transduct. Target. Ther.$$v8$$y2023
000614237 999C5 $$1Quan$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41564-022-01119-7$$p716 -$$tNat. Microbiol.$$v7$$y2022
000614237 999C5 $$1Suárez$$2Crossref$$9-- missing cx lookup --$$a10.1021/acs.jcim.0c00575$$p5815 -$$tJ. Chem. Inf. Model.$$v60$$y2020
000614237 999C5 $$1Xia$$2Crossref$$oXia 2011$$y2011
000614237 999C5 $$1Zhong$$2Crossref$$9-- missing cx lookup --$$a10.1128/JVI.02612-07$$p4227 -$$tJ. Virol.$$v82$$y2008
000614237 999C5 $$1Wei$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.bbrc.2005.11.102$$p865 -$$tBiochem. Biophys. Res. Commun.$$v339$$y2006
000614237 999C5 $$1Ferreira$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.jbc.2022.102023$$tJ. Biol. Chem.$$v298$$y2022
000614237 999C5 $$1Chou$$2Crossref$$9-- missing cx lookup --$$a10.1021/bi0490237$$p14958 -$$tBiochemistry$$v43$$y2004
000614237 999C5 $$1Noske$$2Crossref$$9-- missing cx lookup --$$a10.1038/s41467-023-37035-5$$p1545 -$$tNat. Commun.$$v14$$y2023
000614237 999C5 $$1Mazzini$$2Crossref$$9-- missing cx lookup --$$a10.3390/molecules25163745$$p3745 -$$tMolecules$$v25$$y2020
000614237 999C5 $$1Gorbalenya$$2Crossref$$9-- missing cx lookup --$$a10.1099/0022-1317-81-4-853$$p853 -$$tJ. Gen. Virol.$$v81$$y2000
000614237 999C5 $$1Hsu$$2Crossref$$9-- missing cx lookup --$$a10.1074/jbc.M502556200$$p22741 -$$tJ. Biol. Chem.$$v280$$y2005
000614237 999C5 $$1Shi$$2Crossref$$9-- missing cx lookup --$$a10.1128/JVI.02680-07$$p4620 -$$tJ. Virol.$$v82$$y2008
000614237 999C5 $$1Barrila$$2Crossref$$9-- missing cx lookup --$$a10.1021/bi0616302$$p14908 -$$tBiochemistry$$v45$$y2006
000614237 999C5 $$1Lin$$2Crossref$$9-- missing cx lookup --$$a10.1016/j.abb.2008.01.023$$p34 -$$tArch. Biochem. Biophys.$$v472$$y2008
000614237 999C5 $$1Alzyoud$$2Crossref$$9-- missing cx lookup --$$a10.2147/DDDT.S370574$$p2463 -$$tDrug Des. Devel. Ther.$$v16$$y2022
000614237 999C5 $$1El-Baba$$2Crossref$$9-- missing cx lookup --$$a10.1002/anie.202010316$$p23544 -$$tAngew. Chem. Int. Ed.$$v59$$y2020
000614237 999C5 $$1Barrila$$2Crossref$$9-- missing cx lookup --$$a10.1021/bi1002585$$p4308 -$$tBiochemistry$$v49$$y2010
000614237 999C5 $$1Ho$$2Crossref$$9-- missing cx lookup --$$a10.1371/journal.pone.0144865$$tPloS One$$v10$$y2015