These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

97 related articles for article (PubMed ID: 36129018)

  • 1. Structural communication fingerprinting and dynamic investigation of RBD-hACE2 complex from BA.1 × AY.4 recombinant variant (Deltacron) of SARS-CoV-2 to decipher the structural basis for enhanced transmission.
    Wang J; Fatima Muhammad S; Aman S; Khan A; Munir S; Khan M; Mohammad A; Waheed Y; Munir M; Guo L; Chen L; Wei DQ
    J Biomol Struct Dyn; 2023; 41(16):7665-7676. PubMed ID: 36129018
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structural basis for the mechanism of interaction of SARS-CoV-2 B.1.640.2 variant RBD with the host receptors hACE2 and GRP78.
    Shafiq A; Khalid U; Abdur Rehman U; Abdullah Almuqri E; Muddassir M; Ahmad S; Khan MI; Khan A; Wei DQ
    J Biomol Struct Dyn; 2024; 42(4):2034-2042. PubMed ID: 37286365
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Insights into the Binding of Receptor-Binding Domain (RBD) of SARS-CoV-2 Wild Type and B.1.620 Variant with hACE2 Using Molecular Docking and Simulation Approaches.
    Muhseen ZT; Kadhim S; Yahiya YI; Alatawi EA; Aba Alkhayl FF; Almatroudi A
    Biology (Basel); 2021 Dec; 10(12):. PubMed ID: 34943225
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Investigation of the binding and dynamic features of A.30 variant revealed higher binding of RBD for hACE2 and escapes the neutralizing antibody: A molecular simulation approach.
    Shafiq A; Zubair F; Ambreen A; Suleman M; Yousafi Q; Rasul Niazi Z; Anwar Z; Khan A; Mohammad A; Wei DQ
    Comput Biol Med; 2022 Jul; 146():105574. PubMed ID: 35533461
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The XBB.1.5 slightly increase the binding affinity for host receptor ACE2 and exhibit strongest immune escaping features: molecular modeling and free energy calculation.
    Suleman M; Murtaza A; ; Khan H; Rashid F; Alshammari A; Ali L; Khan A; Wei DQ
    Front Mol Biosci; 2023; 10():1153046. PubMed ID: 37325478
    [No Abstract]   [Full Text] [Related]  

  • 6. Structural plasticity of omicron BA.5 and BA.2.75 for enhanced ACE-dependent entry into cells.
    Lin J; Anjum Huma F; Irfan A; Ali SS; Waheed Y; Mohammad A; Munir M; Khan A; Wei DQ
    J Biomol Struct Dyn; 2023 Dec; 41(20):10762-10773. PubMed ID: 36541923
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ultra-Large-Scale Screening of Natural Compounds and Free Energy Calculations Revealed Potential Inhibitors for the Receptor-Binding Domain (RBD) of SARS-CoV-2.
    Guo L; Zafar F; Moeen N; Alshabrmi FM; Lin J; Ali SS; Munir M; Khan A; Wei D
    Molecules; 2022 Oct; 27(21):. PubMed ID: 36364143
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Targeting the RBD of Omicron Variant (B.1.1.529) with Medicinal Phytocompounds to Abrogate the Binding of Spike Glycoprotein with the hACE2 Using Computational Molecular Search and Simulation Approach.
    Hakami AR
    Biology (Basel); 2022 Feb; 11(2):. PubMed ID: 35205124
    [TBL] [Abstract][Full Text] [Related]  

  • 9. The Omicron (B.1.1.529) variant of SARS-CoV-2 binds to the hACE2 receptor more strongly and escapes the antibody response: Insights from structural and simulation data.
    Khan A; Waris H; Rafique M; Suleman M; Mohammad A; Ali SS; Khan T; Waheed Y; Liao C; Wei DQ
    Int J Biol Macromol; 2022 Mar; 200():438-448. PubMed ID: 35063482
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Insight into free energy and dynamic cross-correlations of residue for binding affinity of antibody and receptor binding domain SARS-CoV-2.
    Chong WL; Saparpakorn P; Sangma C; Lee VS; Hannongbua S
    Heliyon; 2023 Jan; 9(1):e12667. PubMed ID: 36618128
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Computational screening of natural products to identify potential inhibitors for human neuropilin-1 (NRP1) receptor to abrogate the binding of SARS-CoV-2 and host cell.
    Karkashan A; Attar R
    J Biomol Struct Dyn; 2023 Nov; 41(19):9987-9996. PubMed ID: 36437796
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Molecular dynamic simulation suggests stronger interaction of Omicron-spike with ACE2 than wild but weaker than Delta SARS-CoV-2 can be blocked by engineered S1-RBD fraction.
    Santra D; Maiti S
    Struct Chem; 2022; 33(5):1755-1769. PubMed ID: 35966763
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Probing structural basis for enhanced binding of SARS-CoV-2 P.1 variant spike protein with the human ACE2 receptor.
    Lata S; Akif M
    J Cell Biochem; 2022 Jul; 123(7):1207-1221. PubMed ID: 35620980
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Most frequently harboured missense variants of hACE2 across different populations exhibit varying patterns of binding interaction with spike glycoproteins of emerging SARS-CoV-2 of different lineages.
    Tahsin A; Ahmed R; Bhattacharjee P; Adiba M; Al Saba A; Yasmin T; Chakraborty S; Hasan AKMM; Nabi AHMN
    Comput Biol Med; 2022 Sep; 148():105903. PubMed ID: 35932731
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Receptor binding domain of SARS-CoV-2 from Wuhan strain to Omicron B.1.1.529 attributes increased affinity to variable structures of human ACE2.
    Patil S; Alzahrani KJ; Banjer HJ; Halawani IF; Alzahrani H; Altayar MA; Albogami S; Angeles RF; Hassan AAA; Bhandi S; Raj AT
    J Infect Public Health; 2022 Jul; 15(7):781-787. PubMed ID: 35738053
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Omicron (BA.1) and sub-variants (BA.1.1, BA.2, and BA.3) of SARS-CoV-2 spike infectivity and pathogenicity: A comparative sequence and structural-based computational assessment.
    Kumar S; Karuppanan K; Subramaniam G
    J Med Virol; 2022 Oct; 94(10):4780-4791. PubMed ID: 35680610
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1.
    Geng Q; Shi K; Ye G; Zhang W; Aihara H; Li F
    J Virol; 2022 Apr; 96(8):e0024922. PubMed ID: 35343765
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Effect of mutation on structure, function and dynamics of receptor binding domain of human SARS-CoV-2 with host cell receptor ACE2: a molecular dynamics simulations study.
    Dehury B; Raina V; Misra N; Suar M
    J Biomol Struct Dyn; 2021 Nov; 39(18):7231-7245. PubMed ID: 32762417
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Bioinformatics analysis of the differences in the binding profile of the wild-type and mutants of the SARS-CoV-2 spike protein variants with the ACE2 receptor.
    Suleman M; Yousafi Q; Ali J; Ali SS; Hussain Z; Ali S; Waseem M; Iqbal A; Ahmad S; Khan A; Wang Y; Wei DQ
    Comput Biol Med; 2021 Nov; 138():104936. PubMed ID: 34655895
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
    Ebrahimi M; Karami L; Alijanianzadeh M
    Comput Biol Med; 2022 Aug; 147():105709. PubMed ID: 35728285
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 5.