357 related articles for article (PubMed ID: 30822195)
1. Discover potential inhibitors for PFKFB3 using 3D-QSAR, virtual screening, molecular docking and molecular dynamics simulation.
Bao Y; Zhou L; Dai D; Zhu X; Hu Y; Qiu Y
J Recept Signal Transduct Res; 2018; 38(5-6):413-431. PubMed ID: 30822195
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Discovery of novel NAMPT inhibitors based on pharmacophore modeling and virtual screening techniques.
Yi Q; Zhou L; Shao X; Wang T; Bao G; Shi H; Zhou S; Li X; Tian Y
Comb Chem High Throughput Screen; 2014; 17(10):868-78. PubMed ID: 25413783
[TBL] [Abstract][Full Text] [Related]
4. Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors.
Kavitha R; Karunagaran S; Chandrabose SS; Lee KW; Meganathan C
Biosystems; 2015 Dec; 138():39-52. PubMed ID: 26521124
[TBL] [Abstract][Full Text] [Related]
5. Novel virtual lead identification in the discovery of hematopoietic cell kinase (HCK) inhibitors: application of 3D QSAR and molecular dynamics simulation.
Bavi R; Kumar R; Rampogu S; Kim Y; Kwon YJ; Park SJ; Lee KW
J Recept Signal Transduct Res; 2017 Jun; 37(3):224-238. PubMed ID: 27485399
[TBL] [Abstract][Full Text] [Related]
6. Discovery of Novel DPP-IV Inhibitors as Potential Candidates for the Treatment of Type 2
Musoev A; Numonov S; You Z; Gao H
Molecules; 2019 Aug; 24(16):. PubMed ID: 31394858
[TBL] [Abstract][Full Text] [Related]
7. Exploration of Novel Inhibitors for Bruton's Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation.
Bavi R; Kumar R; Choi L; Woo Lee K
PLoS One; 2016; 11(1):e0147190. PubMed ID: 26784025
[TBL] [Abstract][Full Text] [Related]
8. Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.
Zeb A; Park C; Son M; Rampogu S; Alam SI; Park SJ; Lee KW
J Bioinform Comput Biol; 2018 Jun; 16(3):1840015. PubMed ID: 29945500
[TBL] [Abstract][Full Text] [Related]
9. 3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B.
Ma Y; Li HL; Chen XB; Jin WY; Zhou H; Ma Y; Wang RL
Comput Biol Chem; 2018 Apr; 73():1-12. PubMed ID: 29413811
[TBL] [Abstract][Full Text] [Related]
10. A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study.
Choubey SK; Jeyaraman J
J Mol Graph Model; 2016 Nov; 70():54-69. PubMed ID: 27668885
[TBL] [Abstract][Full Text] [Related]
11. 3D-QSAR pharmacophore-based virtual screening, molecular docking and molecular dynamics simulation toward identifying lead compounds for NS2B-NS3 protease inhibitors.
Luo PH; Zhang XR; Huang L; Yuan L; Zhou XZ; Gao X; Li LS
J Recept Signal Transduct Res; 2017 Oct; 37(5):481-492. PubMed ID: 28758854
[TBL] [Abstract][Full Text] [Related]
12. Pharmacophore modeling and virtual screening studies of checkpoint kinase 1 inhibitors.
Chen JJ; Liu TL; Yang LJ; Li LL; Wei YQ; Yang SY
Chem Pharm Bull (Tokyo); 2009 Jul; 57(7):704-9. PubMed ID: 19571415
[TBL] [Abstract][Full Text] [Related]
13. PFKFB3 inhibitors as potential anticancer agents: Mechanisms of action, current developments, and structure-activity relationships.
Wang Y; Qu C; Liu T; Wang C
Eur J Med Chem; 2020 Oct; 203():112612. PubMed ID: 32679452
[TBL] [Abstract][Full Text] [Related]
14. Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2.
Sakkiah S; Thangapandian S; Lee KW
J Mol Model; 2012 Jul; 18(7):3267-82. PubMed ID: 22249747
[TBL] [Abstract][Full Text] [Related]
15. Pharmacophore Based 3D-QSAR, Virtual Screening and Docking Studies on Novel Series of HDAC Inhibitors with Thiophen Linker as Anticancer Agents.
Patel P; Singh A; Patel VK; Jain DK; Veerasamy R; Rajak H
Comb Chem High Throughput Screen; 2016; 19(9):735-751. PubMed ID: 27487787
[TBL] [Abstract][Full Text] [Related]
16. Discovery of promising FtsZ inhibitors by E-pharmacophore, 3D-QSAR, molecular docking study, and molecular dynamics simulation.
Qiu Y; Zhou L; Hu Y; Bao Y
J Recept Signal Transduct Res; 2019 Apr; 39(2):154-166. PubMed ID: 31355691
[TBL] [Abstract][Full Text] [Related]
17. Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3).
Brooke DG; van Dam EM; Watts CK; Khoury A; Dziadek MA; Brooks H; Graham LJ; Flanagan JU; Denny WA
Bioorg Med Chem; 2014 Feb; 22(3):1029-39. PubMed ID: 24398380
[TBL] [Abstract][Full Text] [Related]
18. 3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase.
Ghayas S; Ali Masood M; Parveen R; Aquib M; Farooq MA; Banerjee P; Sambhare S; Bavi R
J Biomol Struct Dyn; 2020 Jul; 38(10):2916-2927. PubMed ID: 31334690
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Pharmacophore generation, atom-based 3D-QSAR, molecular docking and molecular dynamics simulation studies on benzamide analogues as FtsZ inhibitors.
Tripathy S; Azam MA; Jupudi S; Sahu SK
J Biomol Struct Dyn; 2018 Sep; 36(12):3218-3230. PubMed ID: 28938860
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
