135 related articles for article (PubMed ID: 37517053)
1.
Sinha P; Yadav AK
J Biomol Struct Dyn; 2024 Jul; 42(10):5001-5014. PubMed ID: 37517053
[TBL] [Abstract][Full Text] [Related]
2. Naringenin-4'-glucuronide as a new drug candidate against the COVID-19 Omicron variant: a study based on molecular docking, molecular dynamics, MM/PBSA and MM/GBSA.
Cobre AF; Maia Neto M; de Melo EB; Fachi MM; Ferreira LM; Tonin FS; Pontarolo R
J Biomol Struct Dyn; 2024 Jul; 42(11):5881-5894. PubMed ID: 37394802
[TBL] [Abstract][Full Text] [Related]
3. Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study.
Wakchaure PD; Ghosh S; Ganguly B
J Phys Chem B; 2020 Nov; 124(47):10641-10652. PubMed ID: 33190493
[TBL] [Abstract][Full Text] [Related]
4. Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics simulations.
Mosquera-Yuqui F; Lopez-Guerra N; Moncayo-Palacio EA
J Biomol Struct Dyn; 2022 Mar; 40(5):2010-2023. PubMed ID: 33084512
[TBL] [Abstract][Full Text] [Related]
5. Developing Hispolon-based novel anticancer therapeutics against human (NF-κβ) using
Paul M; Kumar Panda M; Thatoi H
J Biomol Struct Dyn; 2019 Sep; 37(15):3947-3967. PubMed ID: 30295165
[TBL] [Abstract][Full Text] [Related]
6. Molecular dynamics and absolute binding free energy studies of piperine derivatives as potential inhibitors of SARS-CoV-2 main protease.
Amperayani KR; Varadhi G; Oruganti B; Parimi UD
J Biomol Struct Dyn; 2023; 41(23):13696-13706. PubMed ID: 36995111
[TBL] [Abstract][Full Text] [Related]
7. New molecular insights for 4
Mehta CC; Rohit S; Patel S; Bhatt HG
J Biomol Struct Dyn; 2023; 41(22):13496-13508. PubMed ID: 36755438
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. In-Silico molecular docking and simulation studies on novel chalcone and flavone hybrid derivatives with 1, 2, 3-triazole linkage as vital inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.
Thillainayagam M; Malathi K; Ramaiah S
J Biomol Struct Dyn; 2018 Nov; 36(15):3993-4009. PubMed ID: 29132266
[TBL] [Abstract][Full Text] [Related]
10. 25 (S)-Hydroxycholesterol acts as a possible dual enzymatic inhibitor of SARS-CoV-2 M
Alzahrani FA; Alkarim SA; Hawsawi YM; Abdulaal WH; Albiheyri R; Kurdi B; Alguridi H; El-Magd MA
J Biomol Struct Dyn; 2023 Jul; 41(10):4744-4755. PubMed ID: 35510619
[TBL] [Abstract][Full Text] [Related]
11. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
12. Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13.
Cruz JN; Costa JFS; Khayat AS; Kuca K; Barros CAL; Neto AMJC
J Biomol Struct Dyn; 2019 Apr; 37(6):1616-1627. PubMed ID: 29633908
[TBL] [Abstract][Full Text] [Related]
13. Virtual screening, pharmacokinetics, molecular dynamics and binding free energy analysis for small natural molecules against cyclin-dependent kinase 5 for Alzheimer's disease.
Shukla R; Singh TR
J Biomol Struct Dyn; 2020 Jan; 38(1):248-262. PubMed ID: 30688165
[TBL] [Abstract][Full Text] [Related]
14. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol.
Kumari G; Nigam VK; Pandey DM
J Biomol Struct Dyn; 2023 Apr; 41(6):2478-2491. PubMed ID: 35105279
[TBL] [Abstract][Full Text] [Related]
15. Identification of FDA approved drugs and nucleoside analogues as potential SARS-CoV-2 A1pp domain inhibitor: An in silico study.
Singh AK; Kushwaha PP; Prajapati KS; Shuaib M; Gupta S; Kumar S
Comput Biol Med; 2021 Mar; 130():104185. PubMed ID: 33352458
[TBL] [Abstract][Full Text] [Related]
16. Molecular docking and molecular dynamics simulation of
Oyewusi HA; Huyop F; Wahab RA
J Biomol Struct Dyn; 2022 Mar; 40(5):1979-1994. PubMed ID: 33094694
[TBL] [Abstract][Full Text] [Related]
17. Determination of Novel SARS-CoV-2 Inhibitors by Combination of Machine Learning and Molecular Modeling Methods.
Güner E; Özkan Ö; Yalcin-Ozkat G; Ölgen S
Med Chem; 2024; 20(2):153-231. PubMed ID: 37957860
[TBL] [Abstract][Full Text] [Related]
18. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
Kumar R; Jade D; Gupta D
J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
[TBL] [Abstract][Full Text] [Related]
19. Identification of Leading Compounds from
Islam MN; Pramanik MEA; Hossain MA; Rahman MH; Hossen MS; Islam MA; Miah MMZ; Ahmed I; Hossain AM; Haque MJ; Islam AM; Ali MN; Jahan RA; Haque ME; Rahman MM; Hasan MS; Rahman MM; Kabir MM; Basak PM; Sarkar MAM; Islam MS; Rahman MR; Prodhan AA; Mosaddik A; Haque H; Fahmin F; Das HS; Islam MM; Emtia C; Gofur MR; Liang A; Akbar SMF
Euroasian J Hepatogastroenterol; 2023; 13(2):89-107. PubMed ID: 38222948
[TBL] [Abstract][Full Text] [Related]
20. Molecular docking study and molecular dynamic simulation of human cyclooxygenase-2 (COX-2) with selected eutypoids.
Taidi L; Maurady A; Britel MR
J Biomol Struct Dyn; 2022 Feb; 40(3):1189-1204. PubMed ID: 32990169
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]