Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 209

1.

Development of novel 3D-QSAR combination approach for screening and optimizing B-Raf inhibitors in silico.

Shih KC, Lin CY, Zhou J, Chi HC, Chen TS, Wang CC, Tseng HW, Tang CY.

J Chem Inf Model. 2011 Feb 28;51(2):398-407. doi: 10.1021/ci100351s. Epub 2010 Dec 23.

PMID:
21182293
2.

Design of novel FLT-3 inhibitors based on dual-layer 3D-QSAR model and fragment-based compounds in silico.

Shih KC, Lin CY, Chi HC, Hwang CS, Chen TS, Tang CY, Hsiao NW.

J Chem Inf Model. 2012 Jan 23;52(1):146-55. doi: 10.1021/ci200434f. Epub 2011 Dec 16.

PMID:
22142286
3.

Molecular modeling studies on imidazo[4,5-b]pyridine derivatives as Aurora A kinase inhibitors using 3D-QSAR and docking approaches.

Lan P, Chen WN, Chen WM.

Eur J Med Chem. 2011 Jan;46(1):77-94. doi: 10.1016/j.ejmech.2010.10.017. Epub 2010 Oct 26.

PMID:
21093113
4.

3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies.

Thaimattam R, Daga P, Rajjak SA, Banerjee R, Iqbal J.

Bioorg Med Chem. 2004 Dec 15;12(24):6415-25.

PMID:
15556759
5.

3D QSAR and molecular docking studies of benzimidazole derivatives as hepatitis C virus NS5B polymerase inhibitors.

Patel PD, Patel MR, Kaushik-Basu N, Talele TT.

J Chem Inf Model. 2008 Jan;48(1):42-55. Epub 2007 Dec 13.

PMID:
18076152
6.

A combined 3D-QSAR and molecular docking strategy to understand the binding mechanism of (V600E)B-RAF inhibitors.

Ul-Haq Z, Mahmood U, Reza S.

Mol Divers. 2012 Nov;16(4):771-85. doi: 10.1007/s11030-012-9395-9. Epub 2012 Oct 4.

PMID:
23054531
7.

Molecular dynamics simulation, free energy calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors.

Yang Y, Qin J, Liu H, Yao X.

J Chem Inf Model. 2011 Mar 28;51(3):680-92. doi: 10.1021/ci100427j. Epub 2011 Feb 22.

PMID:
21338122
8.

Recent advances in the research and development of B-Raf inhibitors.

Li HF, Chen Y, Rao SS, Chen XM, Liu HC, Qin JH, Tang WF, Yue-Wang, Zhou X, Lu T.

Curr Med Chem. 2010;17(16):1618-34. Review.

PMID:
20345352
9.

QM/MM based 3D QSAR models for potent B-Raf inhibitors.

Chung JY, Chung HW, Cho SJ, Hah JM, Cho AE.

J Comput Aided Mol Des. 2010 May;24(5):385-97. doi: 10.1007/s10822-010-9337-5. Epub 2010 Apr 1.

PMID:
20358258
11.
12.

Analysis of B-Raf[Formula: see text] inhibitors using 2D and 3D-QSAR, molecular docking and pharmacophore studies.

Aalizadeh R, Pourbasheer E, Ganjali MR.

Mol Divers. 2015 Nov;19(4):915-30. doi: 10.1007/s11030-015-9626-y. Epub 2015 Aug 15.

PMID:
26276566
13.

Pharmacophore identification and validation study of CK2 inhibitors using CoMFA/CoMSIA.

Morshed MN, Muddassar M, Pasha FA, Cho SJ.

Chem Biol Drug Des. 2009 Aug;74(2):148-58. doi: 10.1111/j.1747-0285.2009.00841.x. Epub 2009 Jun 26.

PMID:
19563463
14.

Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFG-out allosteric B-Raf inhibitors.

Dietrich J, Gokhale V, Wang X, Hurley LH, Flynn GA.

Bioorg Med Chem. 2010 Jan 1;18(1):292-304. doi: 10.1016/j.bmc.2009.10.055. Epub 2009 Nov 11.

PMID:
19962319
15.

Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.

Schormann N, Senkovich O, Walker K, Wright DL, Anderson AC, Rosowsky A, Ananthan S, Shinkre B, Velu S, Chattopadhyay D.

Proteins. 2008 Dec;73(4):889-901. doi: 10.1002/prot.22115.

PMID:
18536013
16.

A Combined Pharmacophore Modeling, 3D QSAR and Virtual Screening Studies on Imidazopyridines as B-Raf Inhibitors.

Xie H, Chen L, Zhang J, Xie X, Qiu K, Fu J.

Int J Mol Sci. 2015 May 29;16(6):12307-23. doi: 10.3390/ijms160612307.

17.

Combining 3-D quantitative structure-activity relationship with ligand based and structure based alignment procedures for in silico screening of new hepatitis C virus NS5B polymerase inhibitors.

Musmuca I, Caroli A, Mai A, Kaushik-Basu N, Arora P, Ragno R.

J Chem Inf Model. 2010 Apr 26;50(4):662-76. doi: 10.1021/ci9004749.

PMID:
20225870
18.

3D-QSAR analysis of human immunodeficiency virus entry-1 inhibitors by CoMFA and CoMSIA.

Pirhadi S, Ghasemi JB.

Eur J Med Chem. 2010 Nov;45(11):4897-903. doi: 10.1016/j.ejmech.2010.07.062. Epub 2010 Aug 10.

PMID:
20810190
19.
20.

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 24;29(1):54-71. doi: 10.1016/j.jmgm.2010.04.004. Epub 2010 Apr 24.

PMID:
20471293

Supplemental Content

Support Center