649 related articles for article (PubMed ID: 30175693)
1. Probing the binding mechanism of substituted pyridine derivatives as effective and selective lysine-specific demethylase 1 inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations.
Wang ZZ; Yang J; Sun XD; Ma CY; Gao QB; Ding L; Liu HM
J Biomol Struct Dyn; 2019 Aug; 37(13):3482-3495. PubMed ID: 30175693
[TBL] [Abstract][Full Text] [Related]
2. 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.
Ding L; Wang ZZ; Sun XD; Yang J; Ma CY; Li W; Liu HM
Bioorg Med Chem Lett; 2017 Aug; 27(15):3521-3528. PubMed ID: 28610981
[TBL] [Abstract][Full Text] [Related]
3. QSAR Modeling, Molecular Docking and Molecular Dynamics Simulations Studies of Lysine-Specific Demethylase 1 (LSD1) Inhibitors as Anticancer Agents.
Abdizadeh R; Heidarian E; Hadizadeh F; Abdizadeh T
Anticancer Agents Med Chem; 2021; 21(8):987-1018. PubMed ID: 32698753
[TBL] [Abstract][Full Text] [Related]
4. Investigating the Binding Mode of Reversible LSD1 Inhibitors Derived from Stilbene Derivatives by 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation.
Xu Y; He Z; Yang M; Gao Y; Jin L; Wang M; Zheng Y; Lu X; Zhang S; Wang C; Zhao Z; Zhao J; Gao Q; Duan Y
Molecules; 2019 Dec; 24(24):. PubMed ID: 31817721
[TBL] [Abstract][Full Text] [Related]
5. Molecular docking, 3D-QSAR, and molecular dynamics simulations of thieno[3,2-b]pyrrole derivatives against anticancer targets of KDM1A/LSD1.
Zhang X; Yan J; Wang H; Wang Y; Wang J; Zhao D
J Biomol Struct Dyn; 2021 Mar; 39(4):1189-1202. PubMed ID: 32036765
[TBL] [Abstract][Full Text] [Related]
6.
Shirvani P; Fassihi A
J Biomol Struct Dyn; 2022 Aug; 40(13):5965-5982. PubMed ID: 33475043
[TBL] [Abstract][Full Text] [Related]
7. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
Dong L; Feng R; Bi J; Shen S; Lu H; Zhang J
J Mol Model; 2018 Mar; 24(4):86. PubMed ID: 29511885
[TBL] [Abstract][Full Text] [Related]
8. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
Hou T; Zhu L; Chen L; Xu X
J Chem Inf Comput Sci; 2003; 43(1):273-87. PubMed ID: 12546563
[TBL] [Abstract][Full Text] [Related]
9. Combined 3D-QSAR, molecular docking, molecular dynamics simulation, and binding free energy calculation studies on the 5-hydroxy-2H-pyridazin-3-one derivatives as HCV NS5B polymerase inhibitors.
Yu H; Fang Y; Lu X; Liu Y; Zhang H
Chem Biol Drug Des; 2014 Jan; 83(1):89-105. PubMed ID: 23941500
[TBL] [Abstract][Full Text] [Related]
10. Computational investigation of imidazopyridine analogs as protein kinase B (Akt1) allosteric inhibitors by using 3D-QSAR, molecular docking and molecular dynamics simulations.
Gu X; Wang Y; Wang M; Wang J; Li N
J Biomol Struct Dyn; 2021 Jan; 39(1):63-78. PubMed ID: 31838955
[TBL] [Abstract][Full Text] [Related]
11. Investigating the binding mechanism of piperidinyl ureas inhibitors based on the UBC12-DCN1 interaction by 3D-QSAR, molecular docking and molecular dynamics simulations.
Zhao J; Zang J; Yang J; Gao QB; Yan Y; Ma C; Chen Y; Ding L; Liu HM
J Biomol Struct Dyn; 2022 Apr; 40(6):2674-2688. PubMed ID: 33183176
[TBL] [Abstract][Full Text] [Related]
12. Insight into the binding mode of a novel LSD1 inhibitor by molecular docking and molecular dynamics simulations.
Zhang X; Li M; Wang Y; Zhao Y
J Recept Signal Transduct Res; 2015; 35(5):363-9. PubMed ID: 26364657
[TBL] [Abstract][Full Text] [Related]
13. 3D-QSAR, molecular docking, and molecular dynamics analysis of dihydrodiazaindolone derivatives as PARP-1 inhibitors.
Zhao J; Yu N; Zhao X; Quan W; Shu M
J Mol Model; 2023 Apr; 29(5):131. PubMed ID: 37020092
[TBL] [Abstract][Full Text] [Related]
14. Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.
Ma S; Zeng G; Fang D; Wang J; Wu W; Xie W; Tan S; Zheng K
Mol Biosyst; 2015 Feb; 11(2):394-406. PubMed ID: 25406390
[TBL] [Abstract][Full Text] [Related]
15. Molecular docking, 3D-QSAR and structural optimization on imidazo-pyridine derivatives dually targeting AT1 and PPARg.
Zhang J; Hao QQ; Liu X; Jing Z; Jia WQ; Wang SQ; Xu WR; Cheng XC; Wang RL
Oncotarget; 2017 Apr; 8(15):25612-25627. PubMed ID: 28445965
[TBL] [Abstract][Full Text] [Related]
16. Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods.
Balupuri A; Balasubramanian PK; Cho SJ
Curr Comput Aided Drug Des; 2016; 12(4):302-313. PubMed ID: 27585602
[TBL] [Abstract][Full Text] [Related]
17. Docking-based 3D-QSAR (CoMFA, CoMFA-RG, CoMSIA) study on hydroquinoline and thiazinan-4-one derivatives as selective COX-2 inhibitors.
Dowlati Beirami A; Hajimahdi Z; Zarghi A
J Biomol Struct Dyn; 2019 Jul; 37(11):2999-3006. PubMed ID: 30035675
[TBL] [Abstract][Full Text] [Related]
18. Identifying the novel inhibitors of lysine-specific demethylase 1 (LSD1) combining pharmacophore-based and structure-based virtual screening.
Sun XD; Zheng YC; Ma CY; Yang J; Gao QB; Yan Y; Wang ZZ; Li W; Zhao W; Liu HM; Ding L
J Biomol Struct Dyn; 2019 Oct; 37(16):4200-4214. PubMed ID: 30366512
[TBL] [Abstract][Full Text] [Related]
19. Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
Sun G; Fan T; Zhang N; Ren T; Zhao L; Zhong R
Molecules; 2016 Jun; 21(7):. PubMed ID: 27347909
[TBL] [Abstract][Full Text] [Related]
20. Molecular docking and MD simulation studies of 4-thiazol-N-(pyridin-2-yl)pyrimidin-2-amine derivatives as novel inhibitors targeted to CDK2/4/6.
Liang JD; Zhang YE; Qin F; Chen WN; Jiang WM; Fang Z; Liang XL; Zhang Q; Li J
J Cancer Res Clin Oncol; 2024 Jun; 150(6):302. PubMed ID: 38856753
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
