161 related articles for article (PubMed ID: 31899679)
1. Design of Potential IKK-β Inhibitors using Molecular Docking and Molecular Dynamics Techniques for their Anti-cancer Potential.
Singh SP; Hussain I; Konwar BK; Deka RC; Singh CB
Curr Comput Aided Drug Des; 2021; 17(1):83-94. PubMed ID: 31899679
[TBL] [Abstract][Full Text] [Related]
2. Computational investigation of
Yousaf MA; Anwer SA; Basheera S; Sivanandan S
J Biomol Struct Dyn; 2024; 42(4):1901-1923. PubMed ID: 37154824
[TBL] [Abstract][Full Text] [Related]
3. In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking.
Wang JL; Li L; Hu MB; Wu B; Fan WX; Peng W; Wei DN; Wu CJ
Comput Biol Chem; 2019 Feb; 78():297-305. PubMed ID: 30605855
[TBL] [Abstract][Full Text] [Related]
4. Optimization study towards more potent thiazolidine-2,4-dione IKK-β modulator: Synthesis, biological evaluation and in silico docking simulation.
Elkamhawy A; Youn Kim N; Hassan AHE; Park JE; Yang JE; Elsherbeny MH; Paik S; Oh KS; Lee BH; Lee MY; Shin KJ; Pae AN; Lee KT; Roh EJ
Bioorg Chem; 2019 Nov; 92():103261. PubMed ID: 31542718
[TBL] [Abstract][Full Text] [Related]
5.
Hammoudi NE; Benguerba Y; Attoui A; Hognon C; Lemaoui T; Sobhi W; Benaicha M; Badawi M; Monari A
J Biomol Struct Dyn; 2022 Feb; 40(2):886-902. PubMed ID: 32948119
[TBL] [Abstract][Full Text] [Related]
6. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
[TBL] [Abstract][Full Text] [Related]
7. Screening of potential bio-molecules from
Mathpal S; Sharma P; Joshi T; Joshi T; Pande V; Chandra S
J Biomol Struct Dyn; 2022; 40(20):9885-9896. PubMed ID: 34151733
[TBL] [Abstract][Full Text] [Related]
8. Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants.
Sharma P; Joshi T; Joshi T; Chandra S; Tamta S
J Biomol Struct Dyn; 2021 Oct; 39(17):6524-6538. PubMed ID: 32748738
[No Abstract] [Full Text] [Related]
9. Molecular docking and molecular dynamic studies: screening of phytochemicals against EGFR, HER2, estrogen and NF-KB receptors for their potential use in breast cancer.
Purawarga Matada GS; Dhiwar PS; Abbas N; Singh E; Ghara A; Das A; Bhargava SV
J Biomol Struct Dyn; 2022 Aug; 40(13):6183-6192. PubMed ID: 33525984
[TBL] [Abstract][Full Text] [Related]
10. Pharmacokinetic studies, molecular docking, and molecular dynamics simulations of phytochemicals from Morus alba: a multi receptor approach for potential therapeutic agents in colorectal cancer.
Stany B; Mishra S; Rao KVB
Med Oncol; 2024 May; 41(6):156. PubMed ID: 38750377
[TBL] [Abstract][Full Text] [Related]
11. Molecular insight into isoform specific inhibition of PI3K-α and PKC-η with dietary agents through an ensemble pharmacophore and docking studies.
Bhaskar BV; Rammohan A; Babu TM; Zheng GY; Chen W; Rajendra W; Zyryanov GV; Gu W
Sci Rep; 2021 Jun; 11(1):12150. PubMed ID: 34108504
[TBL] [Abstract][Full Text] [Related]
12. Phytochemicals as potential IKK-β inhibitor for the treatment of cardiovascular diseases in plant preservation: terpenoids, alkaloids, and quinones.
Hua F; Shi L; Zhou P
Inflammopharmacology; 2020 Feb; 28(1):83-93. PubMed ID: 31487001
[TBL] [Abstract][Full Text] [Related]
13. Virtual screening of phytochemicals by targeting multiple proteins of severe acute respiratory syndrome coronavirus 2: Molecular docking and molecular dynamics simulation studies.
Azeem M; Mustafa G; Mahrosh HS
Int J Immunopathol Pharmacol; 2022; 36():3946320221142793. PubMed ID: 36442514
[TBL] [Abstract][Full Text] [Related]
14. Pharmacoinformatics approach for the screening of Kovidra
More-Adate P; Lokhande KB; Shrivastava A; Doiphode S; Nagar S; Singh A; Baheti A
J Biomol Struct Dyn; 2024 May; 42(8):4263-4282. PubMed ID: 37288734
[TBL] [Abstract][Full Text] [Related]
15. Repurposing phytochemicals of
Sahu P; Sahoo R; Sahu AK; Saluja SS; Behera B
J Biomol Struct Dyn; 2024 Jul; 42(10):5197-5206. PubMed ID: 37350097
[TBL] [Abstract][Full Text] [Related]
16. In silico discovery of food-derived phytochemicals against asialoglycoprotein receptor 1 for treatment of hypercholesterolemia: Pharmacophore modeling, molecular docking and molecular dynamics simulation approach.
Gao S; Wang L; Bai F; Xu S
J Mol Graph Model; 2023 Dec; 125():108614. PubMed ID: 37651861
[TBL] [Abstract][Full Text] [Related]
17. Structure Based docking studies towards exploring potential anti-androgen activity of selected phytochemicals against Prostate Cancer.
Singh AN; Baruah MM; Sharma N
Sci Rep; 2017 May; 7(1):1955. PubMed ID: 28512306
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Computational assessment of phytochemicals of medicinal plants from Mexico as potential inhibitors of
Oyedara OO; Fadare OA; Franco-Frías E; Heredia N; García S
J Biomol Struct Dyn; 2023 Mar; 41(5):1776-1789. PubMed ID: 34996337
[TBL] [Abstract][Full Text] [Related]
20. Virtual Screening of
Miandad K; Ullah A; Bashir K; Khan S; Abideen SA; Shaker B; Alharbi M; Alshammari A; Ali M; Haleem A; Ahmad S
Molecules; 2022 Nov; 27(22):. PubMed ID: 36432204
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]