243 related articles for article (PubMed ID: 29161996)
1. Computational screening of fatty acid synthase inhibitors against thioesterase domain.
Panman W; Nutho B; Chamni S; Dokmaisrijan S; Kungwan N; Rungrotmongkol T
J Biomol Struct Dyn; 2018 Nov; 36(15):4114-4125. PubMed ID: 29161996
[TBL] [Abstract][Full Text] [Related]
2. Comparative docking of dual conformations in human fatty acid synthase thioesterase domain reveals potential binding cavity for virtual screening of ligands.
John A; Vetrivel U; Subramanian K; Deepa PR
J Biomol Struct Dyn; 2017 May; 35(6):1350-1366. PubMed ID: 27145135
[TBL] [Abstract][Full Text] [Related]
3. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
4. Molecular docking study of the interactions between the thioesterase domain of human fatty acid synthase and its ligands.
Cheng F; Wang Q; Chen M; Quiocho FA; Ma J
Proteins; 2008 Mar; 70(4):1228-34. PubMed ID: 17847090
[TBL] [Abstract][Full Text] [Related]
5. Thyroid Peroxidase Activity is Inhibited by Phenolic Compounds-Impact of Interaction.
Habza-Kowalska E; Kaczor AA; Żuk J; Matosiuk D; Gawlik-Dziki U
Molecules; 2019 Jul; 24(15):. PubMed ID: 31366075
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. Screening of hepatitis C NS5B polymerase inhibitors containing benzothiadiazine core: a steered molecular dynamics.
Nutho B; Meeprasert A; Chulapa M; Kungwan N; Rungrotmongkol T
J Biomol Struct Dyn; 2017 Jun; 35(8):1743-1757. PubMed ID: 27236925
[TBL] [Abstract][Full Text] [Related]
8. Identification of a novel S6K1 inhibitor, rosmarinic acid methyl ester, for treating cisplatin-resistant cervical cancer.
Nam KH; Yi SA; Nam G; Noh JS; Park JW; Lee MG; Park JH; Oh H; Lee J; Lee KR; Park HJ; Lee J; Han JW
BMC Cancer; 2019 Aug; 19(1):773. PubMed ID: 31387554
[TBL] [Abstract][Full Text] [Related]
9. Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents.
Almeida MO; Costa CHS; Gomes GC; Lameira J; Alves CN; Honorio KM
J Biomol Struct Dyn; 2018 Nov; 36(15):4010-4022. PubMed ID: 29132261
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation.
Jin Z; Wang Y; Yu XF; Tan QQ; Liang SS; Li T; Zhang H; Shaw PC; Wang J; Hu C
Comput Biol Chem; 2020 Apr; 85():107241. PubMed ID: 32120300
[TBL] [Abstract][Full Text] [Related]
12. Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains.
Viegas MF; Neves RPP; Ramos MJ; Fernandes PA
J Phys Chem B; 2018 Jan; 122(1):77-85. PubMed ID: 29210581
[TBL] [Abstract][Full Text] [Related]
13. Rosmarinic Acid as a Potent Influenza Neuraminidase Inhibitor:
Mahalapbutr P; Sangkhawasi M; Kammarabutr J; Chamni S; Rungrotmongkol T
Curr Top Med Chem; 2020; 20(23):2046-2055. PubMed ID: 31738149
[TBL] [Abstract][Full Text] [Related]
14. Molecular Dynamics Simulations to Investigate the Binding Mode of the Natural Product Liphagal with Phosphoinositide 3-Kinase α.
Gao Y; Ma Y; Yang G; Li Y
Molecules; 2016 Jun; 21(7):. PubMed ID: 27367663
[TBL] [Abstract][Full Text] [Related]
15. Temperature effect in the inhibition of PLA
Diniz EADS; da Silva DP; Ferreira SS; Fernandes-Pedrosa MF; Vieira DS
J Biomol Struct Dyn; 2024 Jul; 42(10):5238-5252. PubMed ID: 37378497
[TBL] [Abstract][Full Text] [Related]
16. Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies.
Aliebrahimi S; Montasser Kouhsari S; Ostad SN; Arab SS; Karami L
Cell Biochem Biophys; 2018 Jun; 76(1-2):135-145. PubMed ID: 28852971
[TBL] [Abstract][Full Text] [Related]
17. 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]
18. 3D Pharmacophore-Based Virtual Screening and Docking Approaches toward the Discovery of Novel HPPD Inhibitors.
Fu Y; Sun YN; Yi KH; Li MQ; Cao HF; Li JZ; Ye F
Molecules; 2017 Jun; 22(6):. PubMed ID: 28598377
[No Abstract] [Full Text] [Related]
19. Exploring the effect of inhibitor AKB-9778 on VE-PTP by molecular docking and molecular dynamics simulation.
Liu WS; Wang RR; Sun YZ; Li WY; Li HL; Liu CL; Ma Y; Wang RL
J Cell Biochem; 2019 Oct; 120(10):17015-17029. PubMed ID: 31125141
[TBL] [Abstract][Full Text] [Related]
20. Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations.
Shen M; Zhou S; Li Y; Pan P; Zhang L; Hou T
Mol Biosyst; 2013 Mar; 9(3):361-74. PubMed ID: 23340525
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
