Smolinski M - Search Results

1

Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.

Baum B, Muley L, Smolinski M, Heine A, Hangauer D, Klebe G. Baum B, et al. Among authors: smolinski m. J Mol Biol. 2010 Apr 9;397(4):1042-54. doi: 10.1016/j.jmb.2010.02.007. Epub 2010 Feb 12. J Mol Biol. 2010. PMID: 20156458

2

Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.

Baum B, Muley L, Heine A, Smolinski M, Hangauer D, Klebe G. Baum B, et al. Among authors: smolinski m. J Mol Biol. 2009 Aug 21;391(3):552-64. doi: 10.1016/j.jmb.2009.06.016. Epub 2009 Jun 9. J Mol Biol. 2009. PMID: 19520086

3

Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons.

Gerlach C, Smolinski M, Steuber H, Sotriffer CA, Heine A, Hangauer DG, Klebe G. Gerlach C, et al. Among authors: smolinski m. Angew Chem Int Ed Engl. 2007;46(44):8511-4. doi: 10.1002/anie.200701169. Angew Chem Int Ed Engl. 2007. PMID: 17902081 No abstract available.

4

Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

Muley L, Baum B, Smolinski M, Freindorf M, Heine A, Klebe G, Hangauer DG. Muley L, et al. Among authors: smolinski m. J Med Chem. 2010 Mar 11;53(5):2126-35. doi: 10.1021/jm9016416. J Med Chem. 2010. PMID: 20148533

5

KX2-361: a novel orally bioavailable small molecule dual Src/tubulin inhibitor that provides long term survival in a murine model of glioblastoma.

Ciesielski MJ, Bu Y, Munich SA, Teegarden P, Smolinski MP, Clements JL, Lau JYN, Hangauer DG, Fenstermaker RA. Ciesielski MJ, et al. J Neurooncol. 2018 Dec;140(3):519-527. doi: 10.1007/s11060-018-2992-4. Epub 2018 Sep 20. J Neurooncol. 2018. PMID: 30238350

6

Discovery of Novel Dual Mechanism of Action Src Signaling and Tubulin Polymerization Inhibitors (KX2-391 and KX2-361).

Smolinski MP, Bu Y, Clements J, Gelman IH, Hegab T, Cutler DL, Fang JWS, Fetterly G, Kwan R, Barnett A, Lau JYN, Hangauer DG. Smolinski MP, et al. J Med Chem. 2018 Jun 14;61(11):4704-4719. doi: 10.1021/acs.jmedchem.8b00164. Epub 2018 Apr 17. J Med Chem. 2018. PMID: 29617135

7

Discovery of Encequidar, First-in-Class Intestine Specific P-glycoprotein Inhibitor.

Smolinski MP, Urgaonkar S, Pitzonka L, Cutler M, Lee G, Suh KH, Lau JYN. Smolinski MP, et al. J Med Chem. 2021 Apr 8;64(7):3677-3693. doi: 10.1021/acs.jmedchem.0c01826. Epub 2021 Mar 17. J Med Chem. 2021. PMID: 33729781

8

Discovery and Characterization of Potent Dual P-Glycoprotein and CYP3A4 Inhibitors: Design, Synthesis, Cryo-EM Analysis, and Biological Evaluations.

Urgaonkar S, Nosol K, Said AM, Nasief NN, Bu Y, Locher KP, Lau JYN, Smolinski MP. Urgaonkar S, et al. Among authors: smolinski mp. J Med Chem. 2022 Jan 13;65(1):191-216. doi: 10.1021/acs.jmedchem.1c01272. Epub 2021 Dec 20. J Med Chem. 2022. PMID: 34928144

9

HM30181A, a potent P-glycoprotein inhibitor, potentiates the absorption and in vivo antitumor efficacy of paclitaxel in an orthotopic brain tumor model.

Zeng W, Kwan Law BY, Wai Wong VK, Bik Chan DS, Fai Mok SW, Ying Gao JJ, Yan Ho RK, Liang X, Li JH, Lee MT, Yoon WL, Smolinski MP, Nam Lau JY, Kei Lam CW, Fok M. Zeng W, et al. Among authors: smolinski mp. Cancer Biol Med. 2020 Nov 15;17(4):986-1001. doi: 10.20892/j.issn.2095-3941.2020.0128. Epub 2020 Dec 15. Cancer Biol Med. 2020. PMID: 33299648 Free PMC article.

10

The development of benzimidazoles as selective rho kinase inhibitors.

Sessions EH, Smolinski M, Wang B, Frackowiak B, Chowdhury S, Yin Y, Chen YT, Ruiz C, Lin L, Pocas J, Schröter T, Cameron MD, LoGrasso P, Feng Y, Bannister TD. Sessions EH, et al. Among authors: smolinski m. Bioorg Med Chem Lett. 2010 Mar 15;20(6):1939-43. doi: 10.1016/j.bmcl.2010.01.124. Epub 2010 Feb 1. Bioorg Med Chem Lett. 2010. PMID: 20167489

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