143 related articles for article (PubMed ID: 37111365)
1. Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations.
Oubahmane M; Hdoufane I; Delaite C; Sayede A; Cherqaoui D; El Allali A
Pharmaceuticals (Basel); 2023 Apr; 16(4):. PubMed ID: 37111365
[TBL] [Abstract][Full Text] [Related]
2. The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation.
Yamari I; Abchir O; Mali SN; Errougui A; Talbi M; Kouali ME; Chtita S
Sci Afr; 2023 Sep; 21():e01754. PubMed ID: 37332393
[TBL] [Abstract][Full Text] [Related]
3. COVID-19: In silico identification of potent α-ketoamide inhibitors targeting the main protease of the SARS-CoV-2.
Oubahmane M; Hdoufane I; Bjij I; Jerves C; Villemin D; Cherqaoui D
J Mol Struct; 2021 Nov; 1244():130897. PubMed ID: 34149065
[TBL] [Abstract][Full Text] [Related]
4. Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study.
Kumar V; Kar S; De P; Roy K; Leszczynski J
SAR QSAR Environ Res; 2022 May; 33(5):357-386. PubMed ID: 35380087
[TBL] [Abstract][Full Text] [Related]
5. Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis.
Zaki MEA; Al-Hussain SA; Masand VH; Akasapu S; Bajaj SO; El-Sayed NNE; Ghosh A; Lewaa I
Pharmaceuticals (Basel); 2021 Apr; 14(4):. PubMed ID: 33924395
[TBL] [Abstract][Full Text] [Related]
6. QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CL
Jawarkar RD; Bakal RL; Zaki MEA; Al-Hussain S; Ghosh A; Gandhi A; Mukerjee N; Samad A; Masand VH; Lewaa I
Arab J Chem; 2022 Jan; 15(1):103499. PubMed ID: 34909066
[TBL] [Abstract][Full Text] [Related]
7. Chemical-informatics approach to COVID-19 drug discovery: Monte Carlo based QSAR, virtual screening and molecular docking study of some
Amin SA; Ghosh K; Gayen S; Jha T
J Biomol Struct Dyn; 2021 Aug; 39(13):4764-4773. PubMed ID: 32568618
[TBL] [Abstract][Full Text] [Related]
8. QSAR modeling and pharmacoinformatics of SARS coronavirus 3C-like protease inhibitors.
Ishola AA; Adedirin O; Joshi T; Chandra S
Comput Biol Med; 2021 Jul; 134():104483. PubMed ID: 34020129
[TBL] [Abstract][Full Text] [Related]
9. QSAR, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective benzotriazole-based SARS-CoV 3CL protease inhibitors.
D'Souza S; Balaji S; K V P
J Biomol Struct Dyn; 2022; 40(24):14247-14261. PubMed ID: 34877897
[TBL] [Abstract][Full Text] [Related]
10. Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease.
Edache EI; Uzairu A; Mamza PA; Shallangwa GA; Yagin FH; Abdel Samee N; Mahmoud NF
Front Mol Biosci; 2023; 10():1254230. PubMed ID: 37771457
[TBL] [Abstract][Full Text] [Related]
11. Monte Carlo Method and GA-MLR-Based QSAR Modeling of NS5A Inhibitors against the Hepatitis C Virus.
Liman W; Oubahmane M; Hdoufane I; Bjij I; Villemin D; Daoud R; Cherqaoui D; El Allali A
Molecules; 2022 Apr; 27(9):. PubMed ID: 35566079
[TBL] [Abstract][Full Text] [Related]
12. QSAR, homology modeling, and docking simulation on SARS-CoV-2 and pseudomonas aeruginosa inhibitors, ADMET, and molecular dynamic simulations to find a possible oral lead candidate.
Edache EI; Uzairu A; Mamza PA; Shallangwa GA
J Genet Eng Biotechnol; 2022 Dec; 20():88. PubMed ID: 35730025
[TBL] [Abstract][Full Text] [Related]
13. Development of a simple, interpretable and easily transferable QSAR model for quick screening antiviral databases in search of novel 3C-like protease (3CLpro) enzyme inhibitors against SARS-CoV diseases.
Kumar V; Roy K
SAR QSAR Environ Res; 2020 Jul; 31(7):511-526. PubMed ID: 32543892
[TBL] [Abstract][Full Text] [Related]
14. SARS-CoV M
Toropov AA; Toropova AP; Veselinović AM; Leszczynska D; Leszczynski J
J Biomol Struct Dyn; 2022 Feb; 40(2):780-786. PubMed ID: 32907512
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening.
Ghaleb A; Aouidate A; Ayouchia HBE; Aarjane M; Anane H; Stiriba SE
J Biomol Struct Dyn; 2022 Jan; 40(1):143-153. PubMed ID: 32799761
[TBL] [Abstract][Full Text] [Related]
17. Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study.
Masand VH; Akasapu S; Gandhi A; Rastija V; Patil MK
Chemometr Intell Lab Syst; 2020 Nov; 206():104172. PubMed ID: 33518858
[TBL] [Abstract][Full Text] [Related]
18. Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and binding free energy calculation.
Prajapati J; Patel R; Goswami D; Saraf M; Rawal RM
Comput Biol Med; 2021 Aug; 135():104568. PubMed ID: 34174757
[TBL] [Abstract][Full Text] [Related]
19. Some Flavolignans as Potent Sars-Cov-2 Inhibitors
Cetin A
Curr Comput Aided Drug Des; 2022; 18(5):337-346. PubMed ID: 35975852
[TBL] [Abstract][Full Text] [Related]
20. Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M
Ghosh A; Chakraborty M; Chandra A; Alam MP
J Mol Model; 2021 Feb; 27(3):97. PubMed ID: 33641023
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
