Wang Q - Search Results

1

Reversible covalent inhibition of eEF-2K by carbonitriles.

Devkota AK, Edupuganti R, Yan C, Shi Y, Jose J, Wang Q, Kaoud TS, Cho EJ, Ren P, Dalby KN. Devkota AK, et al. Among authors: wang q. Chembiochem. 2014 Nov 3;15(16):2435-42. doi: 10.1002/cbic.201402321. Epub 2014 Sep 15. Chembiochem. 2014. PMID: 25224652 Free PMC article.

2

Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors.

Edupuganti R, Wang Q, Tavares CD, Chitjian CA, Bachman JL, Ren P, Anslyn EV, Dalby KN. Edupuganti R, et al. Among authors: wang q. Bioorg Med Chem. 2014 Sep 1;22(17):4910-6. doi: 10.1016/j.bmc.2014.06.050. Epub 2014 Jun 30. Bioorg Med Chem. 2014. PMID: 25047940 Free PMC article.

3

Identification and validation of novel PERK inhibitors.

Wang Q, Park J, Devkota AK, Cho EJ, Dalby KN, Ren P. Wang Q, et al. J Chem Inf Model. 2014 May 27;54(5):1467-75. doi: 10.1021/ci500114r. Epub 2014 May 5. J Chem Inf Model. 2014. PMID: 24745945 Free PMC article.

4

The molecular mechanism of eukaryotic elongation factor 2 kinase activation.

Tavares CD, Ferguson SB, Giles DH, Wang Q, Wellmann RM, O'Brien JP, Warthaka M, Brodbelt JS, Ren P, Dalby KN. Tavares CD, et al. Among authors: wang q. J Biol Chem. 2014 Aug 22;289(34):23901-16. doi: 10.1074/jbc.M114.577148. Epub 2014 Jul 10. J Biol Chem. 2014. PMID: 25012662 Free PMC article.

5

Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis.

Wang Q, Edupuganti R, Tavares CD, Dalby KN, Ren P. Wang Q, et al. Front Mol Biosci. 2015 Mar 19;2:9. doi: 10.3389/fmolb.2015.00009. eCollection 2015. Front Mol Biosci. 2015. PMID: 25988177 Free PMC article.

6

Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth.

Edupuganti R, Taliaferro JM, Wang Q, Xie X, Cho EJ, Vidhu F, Ren P, Anslyn EV, Bartholomeusz C, Dalby KN. Edupuganti R, et al. Among authors: wang q. Bioorg Med Chem. 2017 May 1;25(9):2609-2616. doi: 10.1016/j.bmc.2017.03.018. Epub 2017 Mar 10. Bioorg Med Chem. 2017. PMID: 28351607

7

United polarizable multipole water model for molecular mechanics simulation.

Qi R, Wang LP, Wang Q, Pande VS, Ren P. Qi R, et al. Among authors: wang lp, wang q. J Chem Phys. 2015 Jul 7;143(1):014504. doi: 10.1063/1.4923338. J Chem Phys. 2015. PMID: 26156485 Free PMC article.

8

Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field.

Mu X, Wang Q, Wang LP, Fried SD, Piquemal JP, Dalby KN, Ren P. Mu X, et al. Among authors: wang lp, wang q. J Phys Chem B. 2014 Jun 19;118(24):6456-65. doi: 10.1021/jp411671a. Epub 2014 Feb 20. J Phys Chem B. 2014. PMID: 24484473 Free PMC article.

9

General van der Waals potential for common organic molecules.

Qi R, Wang Q, Ren P. Qi R, et al. Among authors: wang q. Bioorg Med Chem. 2016 Oct 15;24(20):4911-4919. doi: 10.1016/j.bmc.2016.07.062. Epub 2016 Aug 2. Bioorg Med Chem. 2016. PMID: 27519463 Free PMC article.

10

Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate.

Zhang C, Lu C, Wang Q, Ponder JW, Ren P. Zhang C, et al. Among authors: wang q. J Chem Theory Comput. 2015 Nov 10;11(11):5326-39. doi: 10.1021/acs.jctc.5b00562. Epub 2015 Oct 28. J Chem Theory Comput. 2015. PMID: 26574325 Free PMC article.

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