438 related articles for article (PubMed ID: 32476576)
1. Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies.
Gupta S; Singh AK; Kushwaha PP; Prajapati KS; Shuaib M; Senapati S; Kumar S
J Biomol Struct Dyn; 2021 Aug; 39(12):4334-4345. PubMed ID: 32476576
[TBL] [Abstract][Full Text] [Related]
2. Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis.
Razzaghi-Asl N; Ebadi A; Shahabipour S; Gholamin D
J Biomol Struct Dyn; 2021 Oct; 39(17):6633-6648. PubMed ID: 32705953
[TBL] [Abstract][Full Text] [Related]
3. Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target.
Kundu D; Selvaraj C; Singh SK; Dubey VK
J Biomol Struct Dyn; 2021 Jun; 39(9):3428-3434. PubMed ID: 32362243
[TBL] [Abstract][Full Text] [Related]
4. Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies.
Abdizadeh R; Hadizadeh F; Abdizadeh T
J Biomol Struct Dyn; 2023; 41(13):5915-5945. PubMed ID: 35848354
[TBL] [Abstract][Full Text] [Related]
5. Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an
Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
J Biomol Struct Dyn; 2021 Aug; 39(12):4362-4374. PubMed ID: 32568613
[TBL] [Abstract][Full Text] [Related]
6. Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors.
Uniyal A; Mahapatra MK; Tiwari V; Sandhir R; Kumar R
J Biomol Struct Dyn; 2022 May; 40(8):3609-3625. PubMed ID: 33226303
[TBL] [Abstract][Full Text] [Related]
7. Identification of potent COVID-19 main protease inhibitors by loading of favipiravir on Mg
Al-Shuaeeb RAA; Abd El-Mageed HR; Ahmed SA; Mohamed HS; Hamza ZS; Rafi MO; Rahman MS
J Biomol Struct Dyn; 2023; 41(21):11437-11449. PubMed ID: 36591698
[TBL] [Abstract][Full Text] [Related]
8. Identification of polyphenols from
Ghosh R; Chakraborty A; Biswas A; Chowdhuri S
J Biomol Struct Dyn; 2021 Oct; 39(17):6747-6760. PubMed ID: 32762411
[TBL] [Abstract][Full Text] [Related]
9. Biflavonoids from
Lokhande K; Nawani N; K Venkateswara S; Pawar S
J Biomol Struct Dyn; 2022 Jul; 40(10):4376-4388. PubMed ID: 33300454
[TBL] [Abstract][Full Text] [Related]
10. Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods.
Sharma P; Joshi T; Mathpal S; Joshi T; Pundir H; Chandra S; Tamta S
J Biomol Struct Dyn; 2022 Apr; 40(6):2757-2768. PubMed ID: 33143552
[TBL] [Abstract][Full Text] [Related]
11. Design, synthesis, and molecular dynamics simulation studies of quinoline derivatives as protease inhibitors against SARS-CoV-2.
Singh VK; Chaurasia H; Kumari P; Som A; Mishra R; Srivastava R; Naaz F; Singh A; Singh RK
J Biomol Struct Dyn; 2022; 40(21):10519-10542. PubMed ID: 34253149
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Insight into crystal structures and identification of potential styrylthieno[2,3-
El Bakri Y; Ahmad B; Saravanan K; Ahmad I; Bakhite EA; Younis O; Al-Waleedy SAH; Ibrahim OF; Nafady A; Mague JT; Mohamed SK
J Biomol Struct Dyn; 2024 May; 42(8):4325-4343. PubMed ID: 37318002
[TBL] [Abstract][Full Text] [Related]
14. Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery.
Ray AK; Sen Gupta PS; Panda SK; Biswal S; Bhattacharya U; Rana MK
Comput Biol Med; 2022 Mar; 142():105183. PubMed ID: 34986429
[TBL] [Abstract][Full Text] [Related]
15. Investigation of Iminosugars as Antiviral Agents against SARS-CoV-2 Main Protease: Inhibitor Design and Optimization, Molecular Docking, and Molecular Dynamics Studies to Explore Potential Inhibitory Effect of 1-Deoxynojirmycin Series.
Miglani V; Sharma P; Kumar Narula A
Curr Comput Aided Drug Des; 2023 Aug; ():. PubMed ID: 37612857
[TBL] [Abstract][Full Text] [Related]
16. Virtual screening of natural products inspired in-house library to discover potential lead molecules against the SARS-CoV-2 main protease.
Garg A; Goel N; Abhinav N; Varma T; Achari A; Bhattacharjee P; Kamal IM; Chakrabarti S; Ravichandiran V; Reddy AM; Gupta S; Jaisankar P
J Biomol Struct Dyn; 2023 Mar; 41(5):2033-2045. PubMed ID: 35043750
[TBL] [Abstract][Full Text] [Related]
17. Large scale peptide screening against main protease of SARS CoV-2.
Uddin MJ; Akhter H; Chowdhury U; Mawah J; Karim ST; Jomel M; Islam MS; Islam MR; Onin LAB; Ali MA; Efaz FM; Halim MA
J Comput Chem; 2023 Mar; 44(8):887-901. PubMed ID: 36478400
[TBL] [Abstract][Full Text] [Related]
18. Isatin-based virtual high throughput screening, molecular docking, DFT, QM/MM, MD and MM-PBSA study of novel inhibitors of SARS-CoV-2 main protease.
Varadharajan V; Arumugam GS; Shanmugam S
J Biomol Struct Dyn; 2022 Oct; 40(17):7852-7867. PubMed ID: 33764269
[TBL] [Abstract][Full Text] [Related]
19. Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2.
Shode FO; Idowu ASK; Uhomoibhi OJ; Sabiu S
J Biomol Struct Dyn; 2022 Sep; 40(14):6587-6602. PubMed ID: 33590806
[TBL] [Abstract][Full Text] [Related]
20. An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study.
Das S; Sarmah S; Lyndem S; Singha Roy A
J Biomol Struct Dyn; 2021 Jun; 39(9):3347-3357. PubMed ID: 32362245
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]