140 related articles for article (PubMed ID: 35800218)
1. Screening of Potential Breast Cancer Inhibitors through Molecular Docking and Molecular Dynamics Simulation.
Pandi S; Kulanthaivel L; Subbaraj GK; Rajaram S; Subramanian S
Biomed Res Int; 2022; 2022():3338549. PubMed ID: 35800218
[TBL] [Abstract][Full Text] [Related]
2. Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulation.
Razzaghi-Asl N; Mirzayi S; Mahnam K; Sepehri S
J Mol Graph Model; 2018 Aug; 83():138-152. PubMed ID: 29936228
[TBL] [Abstract][Full Text] [Related]
3. Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation.
Wu M; Han J; Liu Z; Zhang Y; Huang C; Li J; Li Z
Life Sci; 2020 Oct; 258():118228. PubMed ID: 32781071
[TBL] [Abstract][Full Text] [Related]
4. In silico molecular docking and dynamic simulation of eugenol compounds against breast cancer.
Rasul HO; Aziz BK; Ghafour DD; Kivrak A
J Mol Model; 2021 Dec; 28(1):17. PubMed ID: 34962586
[TBL] [Abstract][Full Text] [Related]
5. Potential target identification for breast cancer and screening of small molecule inhibitors: A bioinformatics approach.
Agarwal S; Kashaw SK
J Biomol Struct Dyn; 2021 Apr; 39(6):1975-1989. PubMed ID: 32186248
[TBL] [Abstract][Full Text] [Related]
6. Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein.
Ahammad F; Alam R; Mahmud R; Akhter S; Talukder EK; Tonmoy AM; Fahim S; Al-Ghamdi K; Samad A; Qadri I
Brief Bioinform; 2021 Sep; 22(5):. PubMed ID: 33834183
[TBL] [Abstract][Full Text] [Related]
7. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
[TBL] [Abstract][Full Text] [Related]
8. Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics.
Heidarpoor Saremi L; Ebrahimi A; Lagzian M
J Biomol Struct Dyn; 2021 Mar; 39(5):1717-1734. PubMed ID: 32122267
[TBL] [Abstract][Full Text] [Related]
9. Discovery of novel natural compound inhibitors targeting estrogen receptor α by an integrated virtual screening strategy.
Yu E; Xu Y; Shi Y; Yu Q; Liu J; Xu L
J Mol Model; 2019 Aug; 25(9):278. PubMed ID: 31463793
[TBL] [Abstract][Full Text] [Related]
10. Molecular dynamics guided insight, binding free energy calculations and pharmacophore-based virtual screening for the identification of potential VEGFR2 inhibitors.
Rathi E; Kumar A; Kini SG
J Recept Signal Transduct Res; 2019; 39(5-6):415-433. PubMed ID: 31755336
[TBL] [Abstract][Full Text] [Related]
11. Targeting human progesterone receptor (PR), through pharmacophore-based screening and molecular simulation revealed potent inhibitors against breast cancer.
Shahab M; Ziyu P; Waqas M; Zheng G; Bin Jardan YA; Fentahun Wondmie G; Bouhrhia M
Sci Rep; 2024 Mar; 14(1):6768. PubMed ID: 38514638
[TBL] [Abstract][Full Text] [Related]
12. Proposing novel MDM2 inhibitors: Combined physics-driven high-throughput virtual screening and in vitro studies.
Aydin G; Paksoy MN; Orhan MD; Avsar T; Yurtsever M; Durdagi S
Chem Biol Drug Des; 2020 Jul; 96(1):684-700. PubMed ID: 32691963
[TBL] [Abstract][Full Text] [Related]
13. Pharmacophore model, docking, QSAR, and molecular dynamics simulation studies of substituted cyclic imides and herbal medicines as COX-2 inhibitors.
Moussa N; Hassan A; Gharaghani S
Heliyon; 2021 Apr; 7(4):e06605. PubMed ID: 33889764
[TBL] [Abstract][Full Text] [Related]
14.
Alamri A; Rauf A; Khalil AA; Alghamdi A; Alafnan A; Alshammari A; Alshammari F; Malik JA; Anwar S
Biomed Res Int; 2021; 2021():9734279. PubMed ID: 34957309
[TBL] [Abstract][Full Text] [Related]
15. Shape-based virtual screening, docking, and molecular dynamics simulations to identify Mtb-ASADH inhibitors.
Kumar R; Garg P; Bharatam PV
J Biomol Struct Dyn; 2015; 33(5):1082-93. PubMed ID: 24875451
[TBL] [Abstract][Full Text] [Related]
16. Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leads.
John A; Sivashanmugam M; Umashankar V; Natarajan SK
J Biomol Struct Dyn; 2017 Aug; 35(10):2155-2168. PubMed ID: 27373313
[TBL] [Abstract][Full Text] [Related]
17. Targeting homologous recombination (HR) repair mechanism for cancer treatment: discovery of new potential UCHL-3 inhibitors
Alakhdar AA; Saleh AH; Arafa RK
J Biomol Struct Dyn; 2022 Jan; 40(1):276-289. PubMed ID: 32851933
[TBL] [Abstract][Full Text] [Related]
18. In-silico identification of new inhibitors for Low-density lipoprotein receptor-related protein6 (LRP6).
Enayatkhani M; Salimi M; Azadmanesh K; Teimoori-Toolabi L
J Biomol Struct Dyn; 2022 Jul; 40(10):4440-4450. PubMed ID: 33351722
[TBL] [Abstract][Full Text] [Related]
19.
Mishra D; Mishra A; Rai SN; Singh SK; Vamanu E; Singh MP
Front Biosci (Landmark Ed); 2023 Jul; 28(7):151. PubMed ID: 37525917
[TBL] [Abstract][Full Text] [Related]
20. Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations.
Rampogu S; Baek A; Zeb A; Lee KW
BMC Cancer; 2018 Mar; 18(1):264. PubMed ID: 29514608
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
