Conservation and Enhanced Binding of SARS-CoV-2 Omicron Spike Protein to Coreceptor Neuropilin-1 Predicted by Docking Analysis

被引:21
作者
Baindara, Piyush [1 ,2 ,3 ]
Roy, Dinata [4 ]
Mandal, Santi M. [5 ]
Schrum, Adam G. [1 ,2 ,3 ]
机构
[1] Univ Missouri, Sch Med, Coll Engn, Dept Mol Microbiol & Immunol, Columbia, MO 65211 USA
[2] Univ Missouri, Sch Med, Coll Engn, Dept Surg, Columbia, MO 65211 USA
[3] Univ Missouri, Sch Med, Coll Engn, Dept Biomed Biol & Chem Engn, Columbia, MO 65211 USA
[4] Mizoram Univ, Dept Zool, Aizawl 796004, Mizoram, India
[5] Indian Inst Technol Kharagpur, Cent Res Facil, Kharagpur 721302, W Bengal, India
关键词
SARS-CoV-2; Omicron; spike protein; neuropilin-1; CendR; COVID-19; CELL;
D O I
10.3390/idr14020029
中图分类号
R51 [传染病];
学科分类号
100401 ;
摘要
The Omicron variant of SARS-CoV-2 bears peptide sequence alterations that correlate with a higher infectivity than was observed in the original SARS-CoV-2 isolated from Wuhan, China. We analyzed the CendR motif of spike protein and performed in silico molecular docking with neuropilin-1 (Nrp1), a receptor-ligand interaction known to support infection by the original variant. Our analysis predicts conserved and slightly increased energetic favorability of binding for Omicron CendR:Nrp1. We propose that the viral spike:Nrp1 coreceptor pathway may contribute to the infectivity of the Omicron variant of SARS-CoV-2.
引用
收藏
页码:243 / 249
页数:7
相关论文
共 30 条
[1]  
Accelrys Software Inc, 2012, Discovery Studio Modeling Environment, Release 3.5
[2]   Pulmonary Vascular Endothelialitis, Thrombosis, and Angiogenesis in Covid-19 [J].
Ackermann, Maximilian ;
Verleden, Stijn E. ;
Kuehnel, Mark ;
Haverich, Axel ;
Welte, Tobias ;
Laenger, Florian ;
Vanstapel, Arno ;
Werlein, Christopher ;
Stark, Helge ;
Tzankov, Alexandar ;
Li, William W. ;
Li, Vincent W. ;
Mentzer, Steven J. ;
Jonigk, Danny .
NEW ENGLAND JOURNAL OF MEDICINE, 2020, 383 (02) :120-128
[3]  
Callaway E, 2022, NATURE, V602, P556, DOI 10.1038/d41586-022-00471-2
[4]   Increased transmissibility and global spread of SARS-CoV-2 variants of concern as at June 2021 [J].
Campbell, Finlay ;
Archer, Brett ;
Laurenson-Schafer, Henry ;
Jinnai, Yuka ;
Konings, Franck ;
Batra, Neale ;
Pavlin, Boris ;
Vandemaele, Katelijn ;
Van Kerkhove, Maria D. ;
Jombart, Thibaut ;
Morgan, Oliver ;
de Waroux, Olivier le Polain .
EUROSURVEILLANCE, 2021, 26 (24) :1-6
[5]   Neuropilin-1 facilitates SARS-CoV-2 cell entry and infectivity [J].
Cantuti-Castelvetri, Ludovico ;
Ojha, Ravi ;
Pedro, Liliana D. ;
Djannatian, Minou ;
Franz, Jonas ;
Kuivanen, Suvi ;
van der Meer, Franziska ;
Kallio, Katri ;
Kaya, Tugberk ;
Anastasina, Maria ;
Smura, Teemu ;
Levanov, Lev ;
Szirovicza, Leonora ;
Tobi, Allan ;
Kallio-Kokko, Hannimari ;
Osterlund, Pamela ;
Joensuu, Merja ;
Meunier, Frederic A. ;
Butcher, Sarah J. ;
Winkler, Martin Sebastian ;
Mollenhauer, Brit ;
Helenius, Ari ;
Gokce, Ozgun ;
Teesalu, Tambet ;
Hepojoki, Jussi ;
Vapalahti, Olli ;
Stadelmann, Christine ;
Balistreri, Giuseppe ;
Simons, Mikael .
SCIENCE, 2020, 370 (6518) :856-+
[6]   Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody Resistance [J].
Chen, Jiahui ;
Wang, Rui ;
Gilby, Nancy Benovich ;
Wei, Guo-Wei .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 62 (02) :412-422
[7]   Resistance of SARS-CoV-2 variants to neutralization by monoclonal and serum-derived polyclonal antibodies [J].
Chen, Rita E. ;
Zhang, Xianwen ;
Case, James Brett ;
Winkler, Emma S. ;
Liu, Yang ;
VanBlargan, Laura A. ;
Liu, Jianying ;
Errico, John M. ;
Xie, Xuping ;
Suryadevara, Naveenchandra ;
Gilchuk, Pavlo ;
Zost, Seth J. ;
Tahan, Stephen ;
Droit, Lindsay ;
Turner, Jackson S. ;
Kim, Wooseob ;
Schmitz, Aaron J. ;
Thapa, Mahima ;
Wang, David ;
Boon, Adrianus C. M. ;
Presti, Rachel M. ;
O'Halloran, Jane A. ;
Kim, Alfred H. J. ;
Deepak, Parakkal ;
Pinto, Dora ;
Fremont, Daved H. ;
Crowe, James E., Jr. ;
Corti, Davide ;
Virgin, Herbert W. ;
Ellebedy, Ali H. ;
Shi, Pei-Yong ;
Diamond, Michael S. .
NATURE MEDICINE, 2021, 27 (04) :717-726
[8]  
Cucinotta Domenico, 2020, Acta Biomed, V91, P157, DOI 10.23750/abm.v91i1.9397
[9]   Neuropilin-1 is a host factor for SARS-CoV-2 infection [J].
Daly, James L. ;
Simonetti, Boris ;
Klein, Katja ;
Chen, Kai-En ;
Williamson, Maia Kavanagh ;
Anton-Plagaro, Carlos ;
Shoemark, Deborah K. ;
Simon-Gracia, Lorena ;
Bauer, Michael ;
Hollandi, Reka ;
Greber, Urs F. ;
Horvath, Peter ;
Sessions, Richard B. ;
Helenius, Ari ;
Hiscox, Julian A. ;
Teesalu, Tambet ;
Matthews, David A. ;
Davidson, Andrew D. ;
Collins, Brett M. ;
Cullen, Peter J. ;
Yamauchi, Yohei .
SCIENCE, 2020, 370 (6518) :861-+
[10]   Neuropilin-1 as a new potential SARS-CoV-2 infection mediator implicated in the neurologic features and central nervous system involvement of COVID-19 [J].
Davies, Julie ;
Randeva, Harpal S. ;
Chatha, Kamaljit ;
Hall, Marcia ;
Spandidos, Demetrios A. ;
Karteris, Emmanouil ;
Kyrou, Ioannis .
MOLECULAR MEDICINE REPORTS, 2020, 22 (05) :4221-4226