155 related articles for article (PubMed ID: 31566378)
21. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
Chohan TA; Chen JJ; Qian HY; Pan YL; Chen JZ
Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
[TBL] [Abstract][Full Text] [Related]
22. Structure-based 3D-QSAR models and dynamics analysis of novel N-benzyl pyridinone as p38α MAP kinase inhibitors for anticytokine activity.
Ul-Haq Z; Khan W; Zia SR; Iqbal S
J Mol Graph Model; 2012 Jun; 36():48-61. PubMed ID: 22534481
[TBL] [Abstract][Full Text] [Related]
23. Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Comess KM; Sun C; Abad-Zapatero C; Goedken ER; Gum RJ; Borhani DW; Argiriadi M; Groebe DR; Jia Y; Clampit JE; Haasch DL; Smith HT; Wang S; Song D; Coen ML; Cloutier TE; Tang H; Cheng X; Quinn C; Liu B; Xin Z; Liu G; Fry EH; Stoll V; Ng TI; Banach D; Marcotte D; Burns DJ; Calderwood DJ; Hajduk PJ
ACS Chem Biol; 2011 Mar; 6(3):234-44. PubMed ID: 21090814
[TBL] [Abstract][Full Text] [Related]
24. Atom Based 3D-QSAR, Molecular Docking and Density Functional Theory Approaches to Identify Novel JNK-1 Inhibitor.
Shylaja R; Kavitha R; Meganathan C
Comb Chem High Throughput Screen; 2016; 19(9):771-797. PubMed ID: 27585829
[TBL] [Abstract][Full Text] [Related]
25. In silico exploration of c-KIT inhibitors by pharmaco-informatics methodology: pharmacophore modeling, 3D QSAR, docking studies, and virtual screening.
Chaudhari P; Bari S
Mol Divers; 2016 Feb; 20(1):41-53. PubMed ID: 26416560
[TBL] [Abstract][Full Text] [Related]
26. 4D-QSAR and MIA-QSAR study on the Bruton's tyrosine kinase (Btk) inhibitors.
Ma W; Wang Y; Chu D; Yan H
J Mol Graph Model; 2019 Nov; 92():357-362. PubMed ID: 31450065
[TBL] [Abstract][Full Text] [Related]
27. Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition-In silico approach.
Ćirić Zdravković S; Pavlović M; Apostlović S; Koraćević G; Šalinger Martinović S; Stanojević D; Sokolović D; Veselinović AM
Comput Biol Chem; 2019 Apr; 79():55-62. PubMed ID: 30716601
[TBL] [Abstract][Full Text] [Related]
28. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
Wichapong K; Lindner M; Pianwanit S; Kokpol S; Sippl W
Eur J Med Chem; 2009 Apr; 44(4):1383-95. PubMed ID: 18976834
[TBL] [Abstract][Full Text] [Related]
29. Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors.
Du J; Xi L; Lei B; Lu J; Li J; Liu H; Yao X
J Comput Chem; 2010 Nov; 31(15):2783-93. PubMed ID: 20839304
[TBL] [Abstract][Full Text] [Related]
30. Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents.
Mondal C; Halder AK; Adhikari N; Saha A; Saha KD; Gayen S; Jha T
Eur J Med Chem; 2015 Jan; 90():860-75. PubMed ID: 25535952
[TBL] [Abstract][Full Text] [Related]
31. Assessing potency of c-Jun N-terminal kinase 3 (JNK3) inhibitors using 2D molecular descriptors and binary QSAR methodology.
Ijjaali I; Petitet F; Dubus E; Barberan O; Michel A
Bioorg Med Chem; 2007 Jun; 15(12):4256-64. PubMed ID: 17451961
[TBL] [Abstract][Full Text] [Related]
32. A fluorescence-based thermal shift assay identifies inhibitors of mitogen activated protein kinase kinase 4.
Krishna SN; Luan CH; Mishra RK; Xu L; Scheidt KA; Anderson WF; Bergan RC
PLoS One; 2013; 8(12):e81504. PubMed ID: 24339940
[TBL] [Abstract][Full Text] [Related]
33. Potential choline kinase inhibitors: a molecular modeling study of bis-quinolinium compounds.
Srivani P; Sastry GN
J Mol Graph Model; 2009 Feb; 27(6):676-88. PubMed ID: 19147382
[TBL] [Abstract][Full Text] [Related]
34. Pharmacophore modeling, 3D-QSAR and DFT studies of IWR small-molecule inhibitors of Wnt response.
Kirubakaran P; Karthikeyan M
J Recept Signal Transduct Res; 2013 Oct; 33(5):276-85. PubMed ID: 23914783
[TBL] [Abstract][Full Text] [Related]
35. Prediction of Activities of BRAF (V600E) Inhibitors by SW-MLR and GA-MLR Methods.
Pargolghasemi P; Hoseininezhad-Namin MS; Jadid AP
Curr Comput Aided Drug Des; 2017; 13(3):249-261. PubMed ID: 28260510
[TBL] [Abstract][Full Text] [Related]
36. Discovery of potent NEK2 inhibitors as potential anticancer agents using structure-based exploration of NEK2 pharmacophoric space coupled with QSAR analyses.
Khanfar MA; Banat F; Alabed S; Alqtaishat S
Mol Divers; 2017 Feb; 21(1):187-200. PubMed ID: 27599492
[TBL] [Abstract][Full Text] [Related]
37. A neural network-based QSAR approach for exploration of diverse multi-tyrosine kinase inhibitors and its comparison with a fragment- based approach.
Ajmani S; Viswanadhan VN
Curr Comput Aided Drug Des; 2013 Dec; 9(4):482-90. PubMed ID: 24138419
[TBL] [Abstract][Full Text] [Related]
38. In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking.
Wang JL; Li L; Hu MB; Wu B; Fan WX; Peng W; Wei DN; Wu CJ
Comput Biol Chem; 2019 Feb; 78():297-305. PubMed ID: 30605855
[TBL] [Abstract][Full Text] [Related]
39. A comprehensive structure-activity analysis of protein kinase B-alpha (Akt1) inhibitors.
Ajmani S; Agrawal A; Kulkarni SA
J Mol Graph Model; 2010 Apr; 28(7):683-94. PubMed ID: 20153226
[TBL] [Abstract][Full Text] [Related]
40. [Identification of low-molecular inhibitors of proteinase ASK1].
Volynets GP; Bdzhola VG; Kukharenko OP; Iarmoliuk SM
Ukr Biokhim Zh (1999); 2010; 82(5):41-50. PubMed ID: 21674960
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
