121 related articles for article (PubMed ID: 23414143)
21. Combined 3D-QSAR modeling and molecular docking study on 1,4-dihydroindeno[1,2-c]pyrazoles as VEGFR-2 kinase inhibitors.
Zeng H; Zhang H
J Mol Graph Model; 2010 Aug; 29(1):54-71. PubMed ID: 20471293
[TBL] [Abstract][Full Text] [Related]
22. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
23. 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]
24. A new small molecule that directly inhibits the DNA binding of NF-kappaB.
Kobayashi T; Yoshimori A; Kino K; Komori R; Miyazawa H; Tanuma SI
Bioorg Med Chem; 2009 Jul; 17(14):5293-7. PubMed ID: 19539480
[TBL] [Abstract][Full Text] [Related]
25. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
Halder AK; Saha A; Saha KD; Jha T
J Biomol Struct Dyn; 2015; 33(8):1756-79. PubMed ID: 25350685
[TBL] [Abstract][Full Text] [Related]
26. Pharmacophore generation, atom-based 3D-QSAR and molecular dynamics simulation analyses of pyridine-3-carboxamide-6-yl-urea analogues as potential gyrase B inhibitors.
Azam MA; Thathan J
SAR QSAR Environ Res; 2017 Apr; 28(4):275-296. PubMed ID: 28399673
[TBL] [Abstract][Full Text] [Related]
27. 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]
28. 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]
29. Targeting transcription factor activity as a strategy to inhibit pro-inflammatory genes involved in cystic fibrosis: decoy oligonucleotides and low-molecular weight compounds.
Cabrini G; Bezzerri V; Mancini I; Nicolis E; Dechecchi MC; Tamanini A; Lampronti I; Piccagli L; Bianchi N; Borgatti M; Gambari R
Curr Med Chem; 2010; 17(35):4392-404. PubMed ID: 20939807
[TBL] [Abstract][Full Text] [Related]
30. Synthesis and structure-activity relationship study of triazine-based inhibitors of the DNA binding of NF-κB.
Fujii S; Kobayashi T; Nakatsu A; Miyazawa H; Kagechika H
Chem Pharm Bull (Tokyo); 2014; 62(7):700-8. PubMed ID: 24990506
[TBL] [Abstract][Full Text] [Related]
31. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
Xu Y; Liu H; Niu C; Luo C; Luo X; Shen J; Chen K; Jiang H
Bioorg Med Chem; 2004 Dec; 12(23):6193-208. PubMed ID: 15519163
[TBL] [Abstract][Full Text] [Related]
32. Speeding Up the Identification of Cystic Fibrosis Transmembrane Conductance Regulator-Targeted Drugs: An Approach Based on Bioinformatics Strategies and Surface Plasmon Resonance.
Rusnati M; Sala D; Orro A; Bugatti A; Trombetti G; Cichero E; Urbinati C; Di Somma M; Millo E; Galietta LJV; Milanesi L; Fossa P; D'Ursi P
Molecules; 2018 Jan; 23(1):. PubMed ID: 29316712
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. Synthesis and biological evaluation of quinic acid derivatives as anti-inflammatory agents.
Zeng K; Thompson KE; Yates CR; Miller DD
Bioorg Med Chem Lett; 2009 Sep; 19(18):5458-60. PubMed ID: 19674895
[TBL] [Abstract][Full Text] [Related]
35. Combined 3D-QSAR modeling and molecular docking study on quinoline derivatives as inhibitors of P-selectin.
Zeng H; Cao R; Zhang H
Chem Biol Drug Des; 2009 Dec; 74(6):596-610. PubMed ID: 19843078
[TBL] [Abstract][Full Text] [Related]
36. Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway.
Yadav D; Mishra BN; Khan F
J Biomol Struct Dyn; 2020 Aug; 38(12):3621-3632. PubMed ID: 31514715
[TBL] [Abstract][Full Text] [Related]
37. Design, synthesis and biological evaluation of novel zanamivir derivatives as potent neuraminidase inhibitors.
Cheng LP; Wang TC; Yu R; Li M; Huang JW
Bioorg Med Chem Lett; 2018 Dec; 28(23-24):3622-3629. PubMed ID: 30389293
[TBL] [Abstract][Full Text] [Related]
38. Novel quinolone substituted thiazolidin-4-ones as anti-inflammatory, anticancer agents: design, synthesis and biological screening.
Suthar SK; Jaiswal V; Lohan S; Bansal S; Chaudhary A; Tiwari A; Alex AT; Joesph A
Eur J Med Chem; 2013 May; 63():589-602. PubMed ID: 23548704
[TBL] [Abstract][Full Text] [Related]
39. Novel mechanism of inhibition of nuclear factor-kappa B DNA-binding activity by diterpenoids isolated from Isodon rubescens.
Leung CH; Grill SP; Lam W; Han QB; Sun HD; Cheng YC
Mol Pharmacol; 2005 Aug; 68(2):286-97. PubMed ID: 15872117
[TBL] [Abstract][Full Text] [Related]
40. Natural chalcones as dual inhibitors of HDACs and NF-κB.
Orlikova B; Schnekenburger M; Zloh M; Golais F; Diederich M; Tasdemir D
Oncol Rep; 2012 Sep; 28(3):797-805. PubMed ID: 22710558
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
