Garland Marshall, Ph.D.


Biochemistry and Molecular Biophysics

Graduate Programs (DBBS)
Publications (PubMed / NIH)

Office: 2617 Cancer Research Building
Phone: 314-362-0261


The Marshall Lab performs a synergistic application of organic synthesis (solution- and solid-phase chemistry), enzymatic assays (electrophoretic mobility shift assays (EMSA) and surface plasmon resonance (SPR)), and computational chemistry techniques (homology modeling, molecular docking, molecular dynamics simulations, QSAR and 3D QSAR models) to rationally develop novel isoform-selective Lysine Deacetylases Inhibitors (KDACIs) as new therapeutics for the treatment of cancer, HIV-1, schistosomiasis and malaria.

Select Publications

Lobysheva E., Taylor C.M., Marshall G.R., & Kisselev O.G. (2018). “Tauroursodeoxycholic acid binds to the G-protein site on light activated rhodopsin.” Exp Eye Res. 2018 May;170:51-57. doi: 10.1016/j.exer.2018.02.015. Epub 2018 Feb 16. (Abstract)

Reddy D.N., Singh S., Ho C.M.W., Patel J., Schlesinger P., Rodgers S., Doctor A., & Marshall G.R. (2018). “Design, synthesis, and biological evaluation of stable β6.3-Helices: Discovery of non-hemolytic antibacterial peptides.” Eur J Med Chem. 2018 Apr 10;149:193-210. doi: 10.1016/j.ejmech.2018.02.057. Epub 2018 Feb 20. (Abstract)

Marshall G.R. & Ballante F. (2017). “Limiting Assumptions in the Design of Peptidomimetics.” Drug Dev Res. 2017 Sep;78(6):245-267. doi: 10.1002/ddr.21406. Epub 2017 Sep 6. (Abstract)

Albert B.J., Niu A., Ramani R., Marshall G.R., Wender P.A., Williams R.M., Ratner L., Barnes A.B., & Kyei G.B. (2017), “Combinations of isoform-targeted histone deacetylase inhibitors and bryostatin analogues display remarkable potency to activate latent HIV without global T-cell activation.” Sci Rep. 2017 Aug 7;7(1):7456. doi: 10.1038/s41598-017-07814-4. (Abstract)

Reddy D.R., Ballante F., Zhou N.J., and Marshall G.R. (2017) “Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors.” Eur J Med Chem. 2017 Feb 15;127:531-553. doi: 10.1016/j.ejmech.2016.12.032. Epub 2016 Dec 18. (Abstract)

Ballante F., Reddy D.R., Zhou N.J., and Marshall G.R. (2017) “Structural insights of SmKDAC8 inhibitors: Targeting Schistosoma epigenetics through a combined structure-based 3D QSAR, in vitro and synthesis strategy.” Bioorg Med Chem. 2017 Apr 1;25(7):2105-2132. doi: 10.1016/j.bmc.2017.02.020. Epub 2017 Feb 13. (Abstract)

Istvan E.S., Mallari J.P., Corey V.C., Dharia N.V., Marshall G.R., Winzeler E.A., and Goldberg D.E. (2017) “Esterase mutation is a mechanism of resistance to antimalarial compounds.” Nat Commun. 2017 Jan 20;8:14240. doi: 10.1038/ncomms14240. (Abstract)

Reddy D.N., Ballante F., Chuang T., Pirolli A., Marrocco B., and Marshall G.R. (2016) “Design and Synthesis of Simplified Largazole Analogues as Isoform-Selective Human Lysine Deacetylase Inhibitors.” J Med Chem. 2016 Feb 25;59(4):1613-33. doi: 10.1021/acs.jmedchem.5b01632. Epub 2016 Jan 7. (Abstract)

Ballante F. and Marshall G.R. (2016) “An Automated Strategy for Binding-Pose Selection and Docking Assessment in Structure-Based Drug Design.” J Chem Inf Model. 2016 Jan 25;56(1):54-72. doi: 10.1021/acs.jcim.5b00603. Epub 2016 Jan 6. (Abstract)

Wang Q., Rosa B.A., Nare B., Powell K., Valente S., Rotili D., Mai A., Marshall G.R., and Mitreva M. (2015) “Targeting Lysine Deacetylases (KDACs) in Parasites.” PLoS Negl Trop Dis. 2015 Sep 24;9(9):e0004026. doi: 10.1371/journal.pntd.0004026. eCollection 2015. (Abstract)

Kuster D.J., Liu C., Ponder J.W., & Marshall G.R. (2015). “High-resolution crystal structures of protein helices reconciled with three-centered hydrogen bonds and multipole electrostatics.” PLoS One. 2015 Apr 20;10(4):e0123146. doi: 10.1371/journal.pone.0123146. eCollection 2015. (Abstract)

Liu C., Ponder J.W., and Marshall G.R. (2014) “Helix stability of oligoglycine, oligoalanine, and oligo-β-alanine dodecamers reflected by hydrogen-bond persistence.” Proteins. 2014 Nov;82(11):3043-61. doi: 10.1002/prot.24665. Epub 2014 Sep 20. (Abstract)

Marshall, G.R. (2013) “Limiting assumptions in molecular modeling: electrostatics.” J Comput Aided Mol Des. 2013 Feb;27(2):107-14. doi: 10.1007/s10822-013-9634-x. Epub 2013 Jan 26. (Abstract)

Zheng X., Wu C., Ponder J.W., and Marshall G.R. (2012) “Molecular dynamics of β-hairpin models of epigenetic recognition motifs.” J Am Chem Soc. 2012 Sep 26;134(38):15970-8. Epub 2012 Sep 17. (Abstract)

Silvestri L., Ballante F., Mai A., Marshall G.R., and Ragno R. (2012) “Histone deacetylase inhibitors: structure-based modeling and isoform-selectivity prediction.” J Chem Inf Model. 2012 Aug 27;52(8):2215-35. doi: 10.1021/ci300160y. Epub 2012 Jul 19. (Abstract)