Tuszynski JA - Search Results

1

Computational determination of toxicity risks associated with a selection of approved drugs having demonstrated activity against COVID-19.

Aminpour M, Delgado WEM, Wacker S, Noskov S, Houghton M, Tyrrell DLJ, Tuszynski JA. Aminpour M, et al. Among authors: tuszynski ja. BMC Pharmacol Toxicol. 2021 Oct 21;22(1):61. doi: 10.1186/s40360-021-00519-5. BMC Pharmacol Toxicol. 2021. PMID: 34674775 Free PMC article.

2

A computational model for overcoming drug resistance using selective dual-inhibitors for aurora kinase A and its T217D variant.

Barakat KH, Huzil JT, Jordan KE, Evangelinos C, Houghton M, Tuszynski J. Barakat KH, et al. Mol Pharm. 2013 Dec 2;10(12):4572-89. doi: 10.1021/mp4003893. Epub 2013 Nov 5. Mol Pharm. 2013. PMID: 24094068

3

Detailed computational study of the active site of the hepatitis C viral RNA polymerase to aid novel drug design.

Barakat KH, Law J, Prunotto A, Magee WC, Evans DH, Tyrrell DL, Tuszynski J, Houghton M. Barakat KH, et al. J Chem Inf Model. 2013 Nov 25;53(11):3031-43. doi: 10.1021/ci4003969. Epub 2013 Oct 24. J Chem Inf Model. 2013. PMID: 24116674

4

A Refined Model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypes.

Barakat KH, Anwar-Mohamed A, Tuszynski JA, Robins MJ, Tyrrell DL, Houghton M. Barakat KH, et al. Among authors: tuszynski ja. J Chem Inf Model. 2015 Feb 23;55(2):362-73. doi: 10.1021/ci400631n. Epub 2014 Apr 14. J Chem Inf Model. 2015. PMID: 24730573

5

A simple method for finding a protein's ligand-binding pockets.

Saberi Fathi SM, Tuszynski JA. Saberi Fathi SM, et al. Among authors: tuszynski ja. BMC Struct Biol. 2014 Jul 19;14:18. doi: 10.1186/1472-6807-14-18. BMC Struct Biol. 2014. PMID: 25038637 Free PMC article.

6

A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity.

Anwar-Mohamed A, Barakat KH, Bhat R, Noskov SY, Tyrrell DL, Tuszynski JA, Houghton M. Anwar-Mohamed A, et al. Among authors: tuszynski ja. Toxicol Lett. 2014 Nov 4;230(3):382-92. doi: 10.1016/j.toxlet.2014.08.007. Epub 2014 Aug 13. Toxicol Lett. 2014. PMID: 25127758

7

A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase.

Freedman H, Winter P, Tuszynski J, Tyrrell DL, Houghton M. Freedman H, et al. J Biol Chem. 2018 Jun 22;293(25):9696-9705. doi: 10.1074/jbc.RA118.002588. Epub 2018 May 8. J Biol Chem. 2018. PMID: 29739852 Free PMC article.

8

An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications.

Aminpour M, Montemagno C, Tuszynski JA. Aminpour M, et al. Among authors: tuszynski ja. Molecules. 2019 Apr 30;24(9):1693. doi: 10.3390/molecules24091693. Molecules. 2019. PMID: 31052253 Free PMC article. Review.

9

Tubulin Polarizability in Aqueous Suspensions.

Guzman-Sepulveda JR, Wu R, Kalra AP, Aminpour M, Tuszynski JA, Dogariu A. Guzman-Sepulveda JR, et al. Among authors: tuszynski ja. ACS Omega. 2019 May 23;4(5):9144-9149. doi: 10.1021/acsomega.9b00137. eCollection 2019 May 31. ACS Omega. 2019. PMID: 31460002 Free PMC article.

10

Synthesis, Antiproliferative Activity and Molecular Docking Studies of Novel Doubly Modified Colchicine Amides and Sulfonamides as Anticancer Agents.

Krzywik J, Mozga W, Aminpour M, Janczak J, Maj E, Wietrzyk J, Tuszyński JA, Huczyński A. Krzywik J, et al. Among authors: tuszynski ja. Molecules. 2020 Apr 14;25(8):1789. doi: 10.3390/molecules25081789. Molecules. 2020. PMID: 32295119 Free PMC article.

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