Molecular interaction


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Key Findings
Surface plasmon resonance (SPR) was used to compare the kinetics of SARS-CoV-2 S protein both D614 and D614G binding to human ACE2. D614G decreases the affinity for ACE2 by increasing the rate of dissociation.
PMID 32991842
Title Structural and Functional Analysis of the D614G SARS-CoV-2 Spike Protein Variant
Author(s) nameYurkovetskiy L, Wang X, Pascal KE, Tomkins-Tinch C, Nyalile TP, Wang Y, Baum A, Diehl WE, Dauphin A, Carbone C, Veinotte K, Egri SB, Schaffner SF, Lemieux JE, Munro JB, Rafique A, Barve A, Sabeti PC, Kyratsous CA, Dudkina NV, Shen K, Luban J.
Journal Cell
Impact factor27.35
Citation count52
Date of publishing2020 Oct 29
Molecular interaction of SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain and Fab ab1 and VH ab8
PMID 33914735
Title Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies
Author(s) nameZhu X, Mannar D, Srivastava SS, Berezuk AM, Demers JP, Saville JW, Leopold K, Li W, Dimitrov DS, Tuttle KS, Zhou S, Chittori S, Subramaniam S.
Journal PLoS Biol
Impact factor7.62
Citation count
Date of publishing2021 Apr 29
SARS-CoV-2 receptor-binding domain (RBD) binds to human ACE2 receptor (hACE2) more strongly than that of bat ACE2 2 from Rhinolophus macrotis (bACE2-Rm).
PMID 33335073
Title Cross-species recognition of SARS-CoV-2 to bat ACE2
Author(s) nameLiu K, Tan S, Niu S, Wang J, Wu L, Sun H, Zhang Y, Pan X, Qu X, Du P, Meng Y, Jia Y, Chen Q, Deng C, Yan J, Wang HW, Wang Q, Qi J, Gao GF.
Journal Proc Natl Acad Sci U S A
Impact factor9.35
Citation count1
Date of publishing2021 Jan 5
Molecular docking study to determine the potential binding interfaces of SARS-CoV-2 ORF7a with leukocyte marker - LFA-1 (lymphocyte function-associated antigen) and Mac-1 ( Macrophage-1 antigen )
PMID 33305306
Title Structural assessment of SARS-CoV2 accessory protein ORF7a predicts LFA-1 and Mac-1 binding potential
Author(s) nameNizamudeen ZA, Xu ER, Karthik V, Halawa M, Arkill KP, Jackson AM, Bates DO, Emsley J.
Journal Biosci Rep
Impact factor2.51
Citation count1
Date of publishing2020 Dec 11
Molecular interaction study of nsp13-2 and template RNA.
PMID 33208736
Title Architecture of a SARS-CoV-2 mini replication and transcription complex
Author(s) nameYan L, Zhang Y, Ge J, Zheng L, Gao Y, Wang T, Jia Z, Wang H, Huang Y, Li M, Wang Q, Rao Z, Lou Z.
Journal Nat Commun
Impact factor11.8
Citation count4
Date of publishing2020 Nov 18
Molecular interactions between the docked Spike glycoprotein of SARSCoV2 with modeled transmembrane ACE2 receptor of pangolin (Manis javanica)
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Molecular interactions between the docked Spike protein of SARSCoV2 with modeled transmembrane ACE2 receptor of bat (Rhinolophus sinicus) .
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Molecular interactions between the docked Spikeglycoprotein of SARSCoV2 with modeled transmembrane ACE2 receptor of human (Homo sapiens) .
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Molecular interactions between the docked Spike glycoprotein of SARSCoV2 with modeled cell surface TLR1 of human .
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Molecular interactions between the docked Spike glycoprotein of SARSCoV2 with modeled cell surface TLR4 of human
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Molecular interaction between the docked Spike glycoprotein of SARSCoV2 with modeled cell surface TLR6 of human.
PMID 32383269
Title In silico studies on the comparative characterization of the interactions of SARSCoV2 spike glycoprotein with ACE2 receptor homologs and human TLRs
Author(s) nameChoudhury A, Mukherjee S.
Journal J Med Virol
Impact factor2.07
Citation count32
Date of publishing2020 Oct
Reporting strong interaction between S2 subunit of SARS-nCoV-2 with tumor suppressor protein BRCA-2
PMID 32619819
Title S2 Subunit of SARS-nCoV-2 Interacts with Tumor Suppressor Protein p53 and BRCA: an In Silico Study
Author(s) nameSingh N, Bharara Singh A.
Journal Transl Oncol
Impact factor3.3
Citation count4
Date of publishing2020 Oct
Reporting strong interaction between S2 subunit of SARS-nCoV-2 with tumor suppressor protein BRCA-1
PMID 32619819
Title S2 Subunit of SARS-nCoV-2 Interacts with Tumor Suppressor Protein p53 and BRCA: an In Silico Study
Author(s) nameSingh N, Bharara Singh A.
Journal Transl Oncol
Impact factor3.3
Citation count4
Date of publishing2020 Oct
Structural characterization of SARS-CoV-2 spike glycoprotein (RBD to S2 double mutant (rS2d)) constructs. And determing its binding with the antibody CR3022 and human cell receptor ACE2.
PMID 32699321
Title Controlling the SARS-CoV-2 spike glycoprotein conformation
Author(s) nameHenderson R, Edwards RJ, Mansouri K, Janowska K, Stalls V, Gobeil SMC, Kopp M, Li D, Parks R, Hsu AL, Borgnia MJ, Haynes BF, Acharya P.
Journal Nat Struct Mol Biol
Impact factor9.8
Citation count43
Date of publishing2020 Oct
Structural characterization of SARS-CoV-2 spike glycoprotein (subdomain 1 to S2 quadruple mutant (u1S2q 1 Up RBD)) construct. And determing its binding with the antibody CR3022 and human cell receptor ACE2.
PMID 32699321
Title Controlling the SARS-CoV-2 spike glycoprotein conformation
Author(s) nameHenderson R, Edwards RJ, Mansouri K, Janowska K, Stalls V, Gobeil SMC, Kopp M, Li D, Parks R, Hsu AL, Borgnia MJ, Haynes BF, Acharya P.
Journal Nat Struct Mol Biol
Impact factor9.8
Citation count43
Date of publishing2020 Oct
Structural characterization of SARS-CoV-2 spike glycoprotein (subdomain 1 to S2 quadruple mutant (u1S2q 2 Up RBD state)) construct and determing its binding with the antibody CR3022 human cell receptor ACE2
PMID 32699321
Title Controlling the SARS-CoV-2 spike glycoprotein conformation
Author(s) nameHenderson R, Edwards RJ, Mansouri K, Janowska K, Stalls V, Gobeil SMC, Kopp M, Li D, Parks R, Hsu AL, Borgnia MJ, Haynes BF, Acharya P.
Journal Nat Struct Mol Biol
Impact factor9.8
Citation count43
Date of publishing2020 Oct
Reporting strong interaction between S2 subunit of SARS-nCoV-2 with tumor suppressor protein p53
PMID 32619819
Title S2 Subunit of SARS-nCoV-2 Interacts with Tumor Suppressor Protein p53 and BRCA: an In Silico Study
Author(s) nameSingh N, Bharara Singh A.
Journal Transl Oncol
Impact factor3.3
Citation count4
Date of publishing2020 Oct
Structural characterisation of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1)
PMID 32585135
Title Neutralization of SARS-CoV-2 by destruction of the Prefusion Spike
Author(s) nameHuo J, Zhao Y, Ren J, Zhou D, Duyvesteyn HME, Ginn HM, Carrique L, Malinauskas T, Ruza RR, Shah PNM, Tan TK, Rijal P, Coombes N, Bewley KR, Tree JA, Radecke J, Paterson NG, Supasa P, Mongkolsapaya J, Screaton GR, Carroll M, Townsend A, Fry EE, Owens RJ, Stuart DI.
Journal Cell Host Microbe
Impact factor10.45
Citation count39
Date of publishing2020 Sep 9
Structural characterisation of SARS-CoV-2 spike S1 protein in complex with CR3022 Fab
PMID 32585135
Title Neutralization of SARS-CoV-2 by destruction of the Prefusion Spike
Author(s) nameHuo J, Zhao Y, Ren J, Zhou D, Duyvesteyn HME, Ginn HM, Carrique L, Malinauskas T, Ruza RR, Shah PNM, Tan TK, Rijal P, Coombes N, Bewley KR, Tree JA, Radecke J, Paterson NG, Supasa P, Mongkolsapaya J, Screaton GR, Carroll M, Townsend A, Fry EE, Owens RJ, Stuart DI.
Journal Cell Host Microbe
Impact factor10.45
Citation count39
Date of publishing2020 Sep 9
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
PMID 32585135
Title Neutralization of SARS-CoV-2 by destruction of the Prefusion Spike
Author(s) nameHuo J, Zhao Y, Ren J, Zhou D, Duyvesteyn HME, Ginn HM, Carrique L, Malinauskas T, Ruza RR, Shah PNM, Tan TK, Rijal P, Coombes N, Bewley KR, Tree JA, Radecke J, Paterson NG, Supasa P, Mongkolsapaya J, Screaton GR, Carroll M, Townsend A, Fry EE, Owens RJ, Stuart DI.
Journal Cell Host Microbe
Impact factor10.45
Citation count39
Date of publishing2020 Sep 9
Molecular interaction studies of Hydroxychloroquine (HCQ) and its designed analog PMP329 with SARS-CoV-2 functional proteins such as 3CLpro, PLpro and RdRp
PMID 32633733
Title Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations
Author(s) nameProcacci P, Macchiagodena M, Pagliai M, Guarnieri G, Iannone F.
Journal Chem Commun (Camb)
Impact factor~5.996
Citation count5
Date of publishing2020 Aug 4
Structural characterization of SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) complex in its active form consisting of nsp12, nsp8, nsp7 and duplex RNA.
PMID 32438371
Title Structure of replicating SARS-CoV-2 polymerase
Author(s) nameHillen HS, Kokic G, Farnung L, Dienemann C, Tegunov D, Cramer P.
Journal Nature
Impact factor24.36
Citation count74
Date of publishing2020 Aug
Structural characterization of Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase.
PMID 32592996
Title Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9
Author(s) nameLittler DR, Gully BS, Colson RN, Rossjohn J.
Journal iScience
Impact factor4.447
Citation count29
Date of publishing2020 Jul 24
Molecular interactions of SARS-CoV-2 RdRp in complex with a 50-base template-primer RNA and remdesivir.
PMID 32358203
Title Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir
Author(s) nameYin W, Mao C, Luan X, Shen DD, Shen Q, Su H, Wang X, Zhou F, Zhao W, Gao M, Chang S, Xie YC, Tian G, Jiang HW, Tao SC, Shen J, Jiang Y, Jiang H, Xu Y, Zhang S, Zhang Y, Xu HE.
Journal Science
Impact factor20.57
Citation count156
Date of publishing2020 Jun 26
Molecular interactions of SARS-CoV-2 S protein's RBD with ACE2 receptor and CR3022.
PMID 32245784
Title A highly conserved cryptic epitope in the receptor binding domains of SARS-CoV-2 and SARS-CoV
Author(s) nameYuan M, Wu NC, Zhu X, Lee CD, So RTY, Lv H, Mok CKP, Wilson IA.
Journal Science
Impact factor20.57
Citation count269
Date of publishing2020 May 8