PMID- 32936048
OWN - NLM
STAT- MEDLINE
DCOM- 20220202
LR  - 20231112
IS  - 1538-0254 (Electronic)
IS  - 0739-1102 (Print)
IS  - 0739-1102 (Linking)
VI  - 40
IP  - 3
DP  - 2022 Feb
TI  - Molecular basis of the potential interaction of SARS-CoV-2 spike protein to CD147 
      in COVID-19 associated-lymphopenia.
PG  - 1109-1119
LID - 10.1080/07391102.2020.1822208 [doi]
AB  - Lymphopenia is considered one of the most characteristic clinical features of the 
      coronavirus disease 2019 (COVID-19). SARS-CoV-2 infects host cells via the 
      interaction of its spike protein with the human angiotensin-converting enzyme 2 
      (hACE2) receptor. Since T lymphocytes display a very low expression level of 
      hACE2, a novel receptor might be involved in the entry of SARS-CoV-2 into T 
      cells. The transmembrane glycoprotein CD147 is highly expressed by activated T 
      lymphocytes, and was recently proposed as a probable route for SARS-CoV-2 
      invasion. To understand the molecular basis of the potential interaction of 
      SARS-CoV-2 to CD147, we have investigated the binding of the viral spike protein 
      to this receptor in-silico. The results showed that this binding is dominated by 
      electrostatic interactions involving residues Arg403, Asn481, and the backbone of 
      Gly502. The overall binding arrangement shows the CD147 C-terminal domain 
      interacting with the spike external subdomain in the grove between the short 
      antiparallel beta strands, beta1' and beta2', and the small helix alpha1'. This proposed 
      interaction was further confirmed using MD simulation and binding free energy 
      calculation. These data contribute to a better understanding of the mechanism of 
      infection of SARS-CoV-2 to T lymphocytes and could provide valuable insights for 
      the rational design of adjuvant treatment for COVID-19. Communicated by Ramaswamy 
      H. Sarma.
FAU - Helal, Mohamed A
AU  - Helal MA
AUID- ORCID: 0000-0002-6304-8285
AD  - Biomedical Sciences Program, University of Science and Technology, Zewail City of 
      Science and Technology, Giza, Egypt.
AD  - Medicinal Chemistry Department, Faculty of Pharmacy, Suez Canal University, 
      Ismailia, Egypt.
FAU - Shouman, Shaimaa
AU  - Shouman S
AD  - Center of Excellence for Stem Cells and Regenerative Medicine, Zewail City of 
      Science and Technology, Giza, Egypt.
FAU - Abdelwaly, Ahmad
AU  - Abdelwaly A
AD  - Biomedical Sciences Program, University of Science and Technology, Zewail City of 
      Science and Technology, Giza, Egypt.
FAU - Elmehrath, Ahmed O
AU  - Elmehrath AO
AD  - Center of Excellence for Stem Cells and Regenerative Medicine, Zewail City of 
      Science and Technology, Giza, Egypt.
AD  - Faculty of Medicine, Cairo University, Cairo, Egypt.
FAU - Essawy, Mohamed
AU  - Essawy M
AD  - Center of Excellence for Stem Cells and Regenerative Medicine, Zewail City of 
      Science and Technology, Giza, Egypt.
FAU - Sayed, Shireen M
AU  - Sayed SM
AD  - Center of Excellence for Stem Cells and Regenerative Medicine, Zewail City of 
      Science and Technology, Giza, Egypt.
FAU - Saleh, Amr H
AU  - Saleh AH
AUID- ORCID: 0000-0002-3175-1048
AD  - Biomedical Sciences Program, University of Science and Technology, Zewail City of 
      Science and Technology, Giza, Egypt.
FAU - El-Badri, Nagwa
AU  - El-Badri N
AD  - Center of Excellence for Stem Cells and Regenerative Medicine, Zewail City of 
      Science and Technology, Giza, Egypt.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20200916
PL  - England
TA  - J Biomol Struct Dyn
JT  - Journal of biomolecular structure & dynamics
JID - 8404176
RN  - 0 (BSG protein, human)
RN  - 0 (Spike Glycoprotein, Coronavirus)
RN  - 0 (spike protein, SARS-CoV-2)
RN  - 136894-56-9 (Basigin)
SB  - IM
MH  - Basigin
MH  - *COVID-19
MH  - Humans
MH  - *Lymphopenia
MH  - Protein Binding
MH  - SARS-CoV-2
MH  - Spike Glycoprotein, Coronavirus/metabolism
PMC - PMC7544927
OTO - NOTNLM
OT  - CD147
OT  - Lymphopenia
OT  - SARS-CoV-2
OT  - docking
OT  - spike
COIS- No potential conflict of interest was reported by the author(s).
EDAT- 2020/09/17 06:00
MHDA- 2022/02/03 06:00
PMCR- 2020/10/09
CRDT- 2020/09/16 12:13
PHST- 2020/09/17 06:00 [pubmed]
PHST- 2022/02/03 06:00 [medline]
PHST- 2020/09/16 12:13 [entrez]
PHST- 2020/10/09 00:00 [pmc-release]
AID - 1822208 [pii]
AID - 10.1080/07391102.2020.1822208 [doi]
PST - ppublish
SO  - J Biomol Struct Dyn. 2022 Feb;40(3):1109-1119. doi: 
      10.1080/07391102.2020.1822208. Epub 2020 Sep 16.