611 related articles for article (PubMed ID: 35043750)
1. 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]
2. Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 M
Purohit P; Dash JJ; Muya JT; Meher BR
J Biomol Struct Dyn; 2023 Jun; 41(9):3900-3913. PubMed ID: 35388744
[TBL] [Abstract][Full Text] [Related]
3. Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 M
Mohan A; Rendine N; Mohammed MKS; Jeeva A; Ji HF; Talluri VR
Mol Divers; 2022 Jun; 26(3):1645-1661. PubMed ID: 34480682
[TBL] [Abstract][Full Text] [Related]
4. Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus Protease.
Fadaka AO; Sibuyi NRS; Martin DR; Klein A; Madiehe A; Meyer M
Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502340
[TBL] [Abstract][Full Text] [Related]
5. In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
Choudhary MI; Shaikh M; Tul-Wahab A; Ur-Rahman A
PLoS One; 2020; 15(7):e0235030. PubMed ID: 32706783
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. Inhibitory potential of repurposed drugs against the SARS-CoV-2 main protease: a computational-aided approach.
Fadaka AO; Aruleba RT; Sibuyi NRS; Klein A; Madiehe AM; Meyer M
J Biomol Struct Dyn; 2022 May; 40(8):3416-3427. PubMed ID: 33200673
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Targeting COVID-19 (SARS-CoV-2) main protease through active phytochemicals of ayurvedic medicinal plants -
Shree P; Mishra P; Selvaraj C; Singh SK; Chaube R; Garg N; Tripathi YB
J Biomol Struct Dyn; 2022 Jan; 40(1):190-203. PubMed ID: 32851919
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
El Bakri Y; Anouar EH; Ahmad S; Nassar AA; Taha ML; Mague JT; El Ghayati L; Essassi EM
Appl Biochem Biotechnol; 2021 Nov; 193(11):3602-3623. PubMed ID: 34324152
[TBL] [Abstract][Full Text] [Related]
14. Traditional herbal compounds as candidates to inhibit the SARS-CoV-2 main protease: an
de Oliveira OV; Cristina Andreazza Costa M; Marques da Costa R; Giordano Viegas R; Paluch AS; Miguel Castro Ferreira M
J Biomol Struct Dyn; 2023 Mar; 41(5):1603-1616. PubMed ID: 36719113
[TBL] [Abstract][Full Text] [Related]
15. In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease.
Cheng AJT; Macalino SJY; Billones JB; Balolong MP; Murao LAE; Carrillo MCO
J Mol Model; 2022 Oct; 28(11):345. PubMed ID: 36205801
[TBL] [Abstract][Full Text] [Related]
16. Synthetic flavonoids as potential antiviral agents against SARS-CoV-2 main protease.
Batool F; Mughal EU; Zia K; Sadiq A; Naeem N; Javid A; Ul-Haq Z; Saeed M
J Biomol Struct Dyn; 2022 May; 40(8):3777-3788. PubMed ID: 33251983
[TBL] [Abstract][Full Text] [Related]
17.
Maurya AK; Mishra N
J Biomol Struct Dyn; 2021 Nov; 39(18):7306-7321. PubMed ID: 32835632
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Virtual screening and molecular simulation study of natural products database for lead identification of novel coronavirus main protease inhibitors.
Tripathi N; Goel B; Bhardwaj N; Sahu B; Kumar H; Jain SK
J Biomol Struct Dyn; 2022 May; 40(8):3655-3667. PubMed ID: 33213294
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
