Publications

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Novel C-4 heteroaryl 13-cis-retinamide Mnk/AR degrading agents inhibit cell proliferation and migration and induce apoptosis in human breast and prostate cancer cells and suppress growth of MDA-MB-231 human breast and CWR22Rv1 human prostate tumor xenografts in mice.
Mbatia HW, Ramalingam S, Ramamurthy VP, Martin MS, Kwegyir-Afful AK, Njar VC. 2015. Novel C-4 heteroaryl 13-cis-retinamide Mnk/AR degrading agents inhibit cell proliferation and migration and induce apoptosis in human breast and prostate cancer cells and suppress growth of MDA-MB-231 human breast and CWR22Rv1 human prostate tumor xenografts in mice. Journal of medicinal chemistry 58(4): 1900-14. DOI: 10.1021/jm501792c
Evolutionarily distinct bacteriophage endolysins featuring conserved peptidoglycan cleavage sites protect mice from MRSA infection.
Schmelcher M, Shen Y, Nelson DC, Eugster MR, Eichenseher F, Hanke DC, Loessner MJ, Dong S, Pritchard DG, Lee JC, et al. 2015. Evolutionarily distinct bacteriophage endolysins featuring conserved peptidoglycan cleavage sites protect mice from MRSA infection. The Journal of antimicrobial chemotherapy 70(5): 1453-65. DOI: 10.1093/jac/dku552
Molecular modeling of nucleic Acid structure: electrostatics and solvation.
Bergonzo C, Galindo-Murillo R, Cheatham TE. 2014. Molecular modeling of nucleic Acid structure: electrostatics and solvation. Current protocols in nucleic acid chemistry 55: 7.9.1-27. DOI: 10.1002/0471142700.nc0709s55
HIV-1 fitness cost associated with escape from the VRC01 class of CD4 binding site neutralizing antibodies.
Lynch RM, Wong P, Tran L, O'Dell S, Nason MC, Li Y, Wu X, Mascola JR. 2015. HIV-1 fitness cost associated with escape from the VRC01 class of CD4 binding site neutralizing antibodies. Journal of virology 89(8): 4201-13. DOI: 10.1128/JVI.03608-14
Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules.
Yu W, Lakkaraju SK, Raman EP, Fang L, MacKerell AD. 2015. Pharmacophore modeling using site-identification by ligand competitive saturation (SILCS) with multiple probe molecules. Journal of chemical information and modeling 55(2): 407-20. DOI: 10.1021/ci500691p
S100 proteins in cancer.
Bresnick AR, Weber DJ, Zimmer DB. 2015. S100 proteins in cancer. Nature reviews. Cancer 15(2): 96-109. DOI: 10.1038/nrc3893
Simultaneous targeting of androgen receptor (AR) and MAPK-interacting kinases (MNKs) by novel retinamides inhibits growth of human prostate cancer cell lines.
Ramamurthy VP, Ramalingam S, Gediya L, Kwegyir-Afful AK, Njar VC. 2015. Simultaneous targeting of androgen receptor (AR) and MAPK-interacting kinases (MNKs) by novel retinamides inhibits growth of human prostate cancer cell lines. Oncotarget 6(5): 3195-210.
Molecular modeling of nucleic Acid structure: setup and analysis.
Galindo-Murillo R, Bergonzo C, Cheatham TE. 2014. Molecular modeling of nucleic Acid structure: setup and analysis. Current protocols in nucleic acid chemistry 56: 7.10.1-21. DOI: 10.1002/0471142700.nc0710s56
Dissociation of glucocerebrosidase dimer in solution by its co-factor, saposin C.
Gruschus JM, Jiang Z, Yap TL, Hill SA, Grishaev A, Piszczek G, Sidransky E, Lee JC. 2015. Dissociation of glucocerebrosidase dimer in solution by its co-factor, saposin C. Biochemical and biophysical research communications 457(4): 561-6. DOI: 10.1016/j.bbrc.2015.01.024
Quantifying CD4 receptor protein in two human CD4+ lymphocyte preparations for quantitative flow cytometry.
Wang M, Misakian M, He HJ, Bajcsy P, Abbasi F, Davis JM, Cole KD, Turko IV, Wang L. 2014. Quantifying CD4 receptor protein in two human CD4+ lymphocyte preparations for quantitative flow cytometry. Clinical proteomics 11(1): 43. DOI: 10.1186/1559-0275-11-43
Discovery and development of Galeterone (TOK-001 or VN/124-1) for the treatment of all stages of prostate cancer.
Njar VC, Brodie AM. 2015. Discovery and development of Galeterone (TOK-001 or VN/124-1) for the treatment of all stages of prostate cancer. Journal of medicinal chemistry 58(5): 2077-87. DOI: 10.1021/jm501239f
Quantitative residue-specific protein backbone torsion angle dynamics from concerted measurement of 3J couplings.
Lee JH, Li F, Grishaev A, Bax A. 2015. Quantitative residue-specific protein backbone torsion angle dynamics from concerted measurement of 3J couplings. Journal of the American Chemical Society 137(4): 1432-5. DOI: 10.1021/ja512593s
Cell cycle control (and more) by programmed -1 ribosomal frameshifting: implications for disease and therapeutics.
Belew AT, Dinman JD. 2015. Cell cycle control (and more) by programmed -1 ribosomal frameshifting: implications for disease and therapeutics. Cell cycle (Georgetown, Tex.) 14(2): 172-8. DOI: 10.4161/15384101.2014.989123
Ribosomopathies and the paradox of cellular hypo- to hyperproliferation.
De Keersmaecker K, Sulima SO, Dinman JD. 2015. Ribosomopathies and the paradox of cellular hypo- to hyperproliferation. Blood 125(9): 1377-82. DOI: 10.1182/blood-2014-10-569616
Large interdomain rearrangement triggered by suppression of micro- to millisecond dynamics in bacterial Enzyme I.
Venditti V, Tugarinov V, Schwieters CD, Grishaev A, Clore GM. 2015. Large interdomain rearrangement triggered by suppression of micro- to millisecond dynamics in bacterial Enzyme I. Nature communications 6: 5960. DOI: 10.1038/ncomms6960