165 related articles for article (PubMed ID: 36680253)
1. Multi-Targeting Approach in Selection of Potential Molecule for COVID-19 Treatment.
Velagacherla V; Suresh A; Mehta CH; Nayak UY; Nayak Y
Viruses; 2023 Jan; 15(1):. PubMed ID: 36680253
[TBL] [Abstract][Full Text] [Related]
2. Different compounds against Angiotensin-Converting Enzyme 2 (ACE2) receptor potentially containing the infectivity of SARS-CoV-2: an in silico study.
Shahbazi B; Mafakher L; Teimoori-Toolabi L
J Mol Model; 2022 Mar; 28(4):82. PubMed ID: 35249180
[TBL] [Abstract][Full Text] [Related]
3. Withanone from
Balkrishna A; Pokhrel S; Singh H; Joshi M; Mulay VP; Haldar S; Varshney A
Drug Des Devel Ther; 2021; 15():1111-1133. PubMed ID: 33737804
[TBL] [Abstract][Full Text] [Related]
4. Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein.
Moschovou K; Antoniou M; Chontzopoulou E; Papavasileiou KD; Melagraki G; Afantitis A; Mavromoustakos T
Int J Mol Sci; 2023 Nov; 24(21):. PubMed ID: 37958877
[TBL] [Abstract][Full Text] [Related]
5. In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J).
Kalamatianos KG
Mol Divers; 2023 Jun; 27(3):1087-1099. PubMed ID: 35739375
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. A potential antiviral activity of Esculentoside A against binding interactions of SARS-COV-2 spike protein and angiotensin converting enzyme 2 (ACE2).
Zeng MS; Yu WD; Wang HX; Liu JY; Xu PP
Int J Biol Macromol; 2021 Jul; 183():2248-2261. PubMed ID: 34111482
[TBL] [Abstract][Full Text] [Related]
8. Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2.
Pokhrel S; Bouback TA; Samad A; Nur SM; Alam R; Abdullah-Al-Mamun M; Nain Z; Imon RR; Talukder MEK; Tareq MMI; Hossen MS; Karpiński TM; Ahammad F; Qadri I; Rahman MS
Int J Biol Macromol; 2021 Nov; 191():1114-1125. PubMed ID: 34592225
[TBL] [Abstract][Full Text] [Related]
9. Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and in vitro Study.
Durdagi S; Orhan MD; Aksoydan B; Calis S; Dogan B; Sahin K; Shahraki A; Iyison NB; Avsar T
Mol Inform; 2022 Feb; 41(2):e2100062. PubMed ID: 34529322
[TBL] [Abstract][Full Text] [Related]
10. In Silico Identification and Analysis of Potentially Bioactive Antiviral Phytochemicals against SARS-CoV-2: A Molecular Docking and Dynamics Simulation Approach.
Halder SK; Sultana I; Shuvo MN; Shil A; Himel MK; Hasan MA; Shawan MMAK
Biomed Res Int; 2023; 2023():5469258. PubMed ID: 37214084
[TBL] [Abstract][Full Text] [Related]
11. Repurposing the natural compounds as potential therapeutic agents for COVID-19 based on the molecular docking study of the main protease and the receptor-binding domain of spike protein.
Eskandari V
J Mol Model; 2022 May; 28(6):153. PubMed ID: 35578055
[TBL] [Abstract][Full Text] [Related]
12. An integrated drug repurposing strategy for the rapid identification of potential SARS-CoV-2 viral inhibitors.
Trezza A; Iovinelli D; Santucci A; Prischi F; Spiga O
Sci Rep; 2020 Aug; 10(1):13866. PubMed ID: 32807895
[TBL] [Abstract][Full Text] [Related]
13. SARS-CoV-2 entry inhibitors by dual targeting TMPRSS2 and ACE2: An in silico drug repurposing study.
Baby K; Maity S; Mehta CH; Suresh A; Nayak UY; Nayak Y
Eur J Pharmacol; 2021 Apr; 896():173922. PubMed ID: 33539819
[TBL] [Abstract][Full Text] [Related]
14. Detection of Binding Sites on SARS-CoV-2 Spike Protein Receptor-Binding Domain by Molecular Dynamics Simulations in Mixed Solvents.
Jokinen EM; Gopinath K; Kurkinen ST; Pentikainen OT
IEEE/ACM Trans Comput Biol Bioinform; 2021; 18(4):1281-1289. PubMed ID: 33914685
[TBL] [Abstract][Full Text] [Related]
15. In Silico Molecular Dynamics of Griseofulvin and Its Derivatives Revealed Potential Therapeutic Applications for COVID-19.
Aris P; Mohamadzadeh M; Wei Y; Xia X
Int J Mol Sci; 2022 Jun; 23(13):. PubMed ID: 35805893
[TBL] [Abstract][Full Text] [Related]
16. Identification of SARS-CoV-2 Receptor Binding Inhibitors by In Vitro Screening of Drug Libraries.
David AB; Diamant E; Dor E; Barnea A; Natan N; Levin L; Chapman S; Mimran LC; Epstein E; Zichel R; Torgeman A
Molecules; 2021 May; 26(11):. PubMed ID: 34072087
[TBL] [Abstract][Full Text] [Related]
17. Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations.
Lazniewski M; Dermawan D; Hidayat S; Muchtaridi M; Dawson WK; Plewczynski D
Methods; 2022 Jul; 203():498-510. PubMed ID: 35167916
[TBL] [Abstract][Full Text] [Related]
18. Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19.
Rai H; Barik A; Singh YP; Suresh A; Singh L; Singh G; Nayak UY; Dubey VK; Modi G
Mol Divers; 2021 Aug; 25(3):1905-1927. PubMed ID: 33582935
[TBL] [Abstract][Full Text] [Related]
19. Identification of potential SARS-CoV-2 entry inhibitors by targeting the interface region between the spike RBD and human ACE2.
Gurung AB; Ali MA; Lee J; Farah MA; Al-Anazi KM
J Infect Public Health; 2021 Feb; 14(2):227-237. PubMed ID: 33493919
[TBL] [Abstract][Full Text] [Related]
20. Evaluation of the dual effects of antiviral drugs on SARS-CoV-2 receptors and the ACE2 receptor using structure-based virtual screening and molecular dynamics simulation.
Jahantigh HR; Ahmadi N; Shahbazi B; Lovreglio P; Habibi M; Stufano A; Gouklani H; Ahmadi K
J Biomol Struct Dyn; 2023; 41(13):6051-6073. PubMed ID: 35876061
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]