219 related articles for article (PubMed ID: 33251389)
1. Screening marine algae metabolites as high-affinity inhibitors of SARS-CoV-2 main protease (3CLpro): an in silico analysis to identify novel drug candidates to combat COVID-19 pandemic.
Muteeb G; Alshoaibi A; Aatif M; Rehman MT; Qayyum MZ
Appl Biol Chem; 2020; 63(1):79. PubMed ID: 33251389
[TBL] [Abstract][Full Text] [Related]
2. Identification of natural compounds (proanthocyanidin and rhapontin) as high-affinity inhibitors of SARS-CoV-2 Mpro and PLpro using computational strategies.
AlAjmi MF; Azhar A; Hasan S; Alshabr AZ; Hussain A; Rehman MT
Arch Med Sci; 2024; 20(2):567-581. PubMed ID: 38757037
[TBL] [Abstract][Full Text] [Related]
3. Natural Compounds as Inhibitors of SARS-CoV-2 Main Protease (3CLpro): A Molecular Docking and Simulation Approach to Combat COVID-19.
Rehman MT; AlAjmi MF; Hussain A
Curr Pharm Des; 2021; 27(33):3577-3589. PubMed ID: 33200697
[TBL] [Abstract][Full Text] [Related]
4. Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling.
Balogun TA; Chukwudozie OS; Ogbodo UC; Junaid IO; Sunday OA; Ige OM; Aborode AT; Akintayo AD; Oluwarotimi EA; Oluwafemi IO; Saibu OA; Chuckwuemaka P; Omoboyowa DA; Alausa AO; Atasie NH; Ilesanmi A; Dairo G; Tiamiyu ZA; Batiha GE; Alkhuriji AF; Al-Megrin WAI; De Waard M; Sabatier JM
Front Chem; 2022; 10():964446. PubMed ID: 36304744
[TBL] [Abstract][Full Text] [Related]
5. Identification of Potential Inhibitors of 3CL Protease of SARS-CoV-2 From ZINC Database by Molecular Docking-Based Virtual Screening.
Abdusalam AAA; Murugaiyah V
Front Mol Biosci; 2020; 7():603037. PubMed ID: 33392261
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
Aouidate A; Ghaleb A; Chtita S; Aarjane M; Ousaa A; Maghat H; Sbai A; Choukrad M; Bouachrine M; Lakhlifi T
J Biomol Struct Dyn; 2021 Aug; 39(12):4522-4535. PubMed ID: 32552534
[TBL] [Abstract][Full Text] [Related]
8. Integrating virtual screening, pharmacoinformatics profiling, and molecular dynamics: identification of promising inhibitors targeting 3CLpro of SARS-CoV-2.
Mohammad A; Zheoat A; Oraibi A; Manaithiya A; S Almaary K; Allah Nafidi H; Bourhia M; Kilani-Jaziri S; A Bin Jardan Y
Front Mol Biosci; 2023; 10():1306179. PubMed ID: 38516396
[No Abstract] [Full Text] [Related]
9. Virtual screening and molecular dynamics simulation analysis of Forsythoside A as a plant-derived inhibitor of SARS-CoV-2 3CLpro.
Bibi S; Khan MS; El-Kafrawy SA; Alandijany TA; El-Daly MM; Yousafi Q; Fatima D; Faizo AA; Bajrai LH; Azhar EI
Saudi Pharm J; 2022 Jul; 30(7):979-1002. PubMed ID: 35637849
[TBL] [Abstract][Full Text] [Related]
10. Catalytic Dyad Residues His41 and Cys145 Impact the Catalytic Activity and Overall Conformational Fold of the Main SARS-CoV-2 Protease 3-Chymotrypsin-Like Protease.
Ferreira JC; Fadl S; Villanueva AJ; Rabeh WM
Front Chem; 2021; 9():692168. PubMed ID: 34249864
[TBL] [Abstract][Full Text] [Related]
11. Pharmacophore Model for SARS-CoV-2 3CLpro Small-Molecule Inhibitors and
Glaab E; Manoharan GB; Abankwa D
J Chem Inf Model; 2021 Aug; 61(8):4082-4096. PubMed ID: 34348021
[TBL] [Abstract][Full Text] [Related]
12. Marine drugs as putative inhibitors against non-structural proteins of SARS-CoV-2: an in silico study.
Patel S; Hasan H; Umraliya D; Sanapalli BKR; Yele V
J Mol Model; 2023 May; 29(6):176. PubMed ID: 37171714
[TBL] [Abstract][Full Text] [Related]
13. In silico studies of selected multi-drug targeting against 3CLpro and nsp12 RNA-dependent RNA-polymerase proteins of SARS-CoV-2 and SARS-CoV.
Udofia IA; Gbayo KO; Oloba-Whenu OA; Ogunbayo TB; Isanbor C
Netw Model Anal Health Inform Bioinform; 2021; 10(1):22. PubMed ID: 33786291
[TBL] [Abstract][Full Text] [Related]
14. A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods.
Singh E; Khan RJ; Jha RK; Amera GM; Jain M; Singh RP; Muthukumaran J; Singh AK
J Genet Eng Biotechnol; 2020 Nov; 18(1):69. PubMed ID: 33141358
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. Identification of M
Nath V; Rohini A; Kumar V
Biocatal Agric Biotechnol; 2021 Oct; 37():102178. PubMed ID: 34611467
[TBL] [Abstract][Full Text] [Related]
17. Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)-Molecular dynamics, molecular mechanics, and density functional theory investigations.
Adelusi TI; Oyedele AK; Monday OE; Boyenle ID; Idris MO; Ogunlana AT; Ayoola AM; Fatoki JO; Kolawole OE; David KB; Olayemi AA
J Mol Struct; 2022 Feb; 1250():131879. PubMed ID: 34785822
[TBL] [Abstract][Full Text] [Related]
18. Antiviral potential of some novel structural analogs of standard drugs repurposed for the treatment of COVID-19.
AlAjmi MF; Azhar A; Owais M; Rashid S; Hasan S; Hussain A; Rehman MT
J Biomol Struct Dyn; 2021 Oct; 39(17):6676-6688. PubMed ID: 32729392
[TBL] [Abstract][Full Text] [Related]
19. Multistep rational molecular design and combined docking for discovery of novel classes of inhibitors of SARS-CoV-2 main protease 3CLpro.
Tumskiy RS; Tumskaia AV
Chem Phys Lett; 2021 Oct; 780():138894. PubMed ID: 34276059
[TBL] [Abstract][Full Text] [Related]
20. Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs.
Rizzuti B; Grande F; Conforti F; Jimenez-Alesanco A; Ceballos-Laita L; Ortega-Alarcon D; Vega S; Reyburn HT; Abian O; Velazquez-Campoy A
Biomedicines; 2021 Apr; 9(4):. PubMed ID: 33918402
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]