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Institute for Structural Biology, Drug Discovery and Development

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Publications

Dr. Yana Cen

Polarity of Hydrated Phosphatidylcholine Headgroups.

CoAuthors: Subramaniam R, Lynch S, Cen Y, Balaz S.

Langmuir. 2019 Jun 25;35(25):8460-8471.


Activation of SIRT6 by DNA Hypomethylating Agents and Clinical Consequences on Combination Therapy

CoAuthors:  Subranabuam, Carraway, H.; Malkaram, S.; Fan, J.; Ali, H.; Abd Elmageed, Z.; Buttolph, T.; Shatnawi, A.; Denvir, J.; Primerano, D.; Fandy, T.

Scientific Reports, 2020, 10, 10325.


IOX1 Suppresses Wnt Target Gene Transcription and Colorectal Cancer Tumorigenesis Through Inhibition of KDM3

CoAuthors:  Hoyle, R.; Wang, H.; Zhang, Y.; Li, J.

Molecular Cancer Therapeutics, 2021 20, 191-202.


Development of Second Generation Activity-Based Chemical Probes for Sirtuins Curry,

CoAuthors:  A. M.; Barton, E.; Kang, W.; Mongeluzi, D. V.

Molecules, 2021, 16, 11. (PMID: 33375102)


Natural Products as CNS Stimulants In Pharmacognosy

CoAuthor:  Zhang, Y. Eds.

Cognella Academic Publishing: San Diego, California, USA, 2020


Dr. Umesh Desai

Preferential Recognition and Antagonism of SARS-CoV-2 spike Glycoprotein Binding to 2- O-sulfated heapran Sulfate

CoAuthors:  Vaibhav Tiwari, Ritesh Tandon, Nehru Viji Sankaranarayanan, Jacob C. Beer, Ellen K. Kohlmeir, Michelle Swanson-Mungerson,

Version 1. bioRxiv. Preprint. 2020 Oct 8. doi: 10.1101/2020.10.08.331


Discovery of Sulfated Small Molecule Inhibitors of Matrix Metalloproteinase-8, Biomolecules

CoAuthor:  Shravan Morla

2020 Aug; 10(8): 1166. Published online 2020 Aug 9. doi: 10.3390/biom10081166 


 A synthetic heparin mimetic that allosterically inhibits factor XIa and reduces thrombosis in vivo withohttps://www.ncbi.nlm.nih.gov/pubmed/31244216ut enhanced risk of bleeding.

CoAuthors:  Al-Horani RA, Abdelfadiel EI, Afosah DK, Morla S, Sistla JC, Mohammed B, Martin EJ, Sakagami M, Brophy DF, Desai UR.

J Thromb Haemost. 2019 Dec;17(12):2110-2122. 


Perspective on computational simulations of glycosaminoglycans.

CoAuthors:  Nagarajan B, Sankaranarayanan NV, Desai UR.

Wiley Interdiscip Rev Comput Mol Sci. 2019 Mar-Apr;9(2). pii: e1388..


On the Process of Discovering Leads That Target the Heparin-Binding Site of Neutrophil Elastase in the Sputum of Cystic Fibrosis Patients.

CoAuthors: Morla S, Sankaranarayanan NV, Afosah DK, Kumar M, Kummarapurugu AB, Voynow JA, Desai UR.

J Med Chem. 2019 Jun 13;62(11):5501-5511. 


A Synthetic, Small, Sulfated Agent Is a Promising Inhibitor of Chlamydia spp. Infection in vivo.

CoAuthors: Gallegos KM, Taylor CR, Rabulinski DJ, Del Toro R, Girgis DE, Jourha D, Tiwari V, Desai UR, Ramsey KH.

Front Microbiol. 2019 Jan 16;9:3269. 


Ashton Cropp

Enhancing the incorporation of pyrrolysyl derivatives into proteins with the methylester form of unnatural amino acids

CoAuthors:  Zhou, H.,Cheung, J.W.*, Carpenter, T., Jones, S., Luong, N.H., Tran, N.C., Jacobs, S.E., Yin, J.

Bioorg. Med. Chem. Lett., 2020


Keith Ellis

CtBP-a targetable dependency for tumor-initiating cell activity and metastasis in pancreatic adenocarcinoma.

Co-authors: Chawla AT, Chougoni KK, Joshi PJ, Cororaton AD, Memari P, Stansfield JC, Park H, Seth R, Szomju B, Sima AP, Idowu MO, Ellis KC, Grossman SR.

Oncogenesis. 2019 Oct 4;8(10):55.


A Combined Offline and Online Algorithm for Real-Time and Long-Term Classification of Sheep Behaviour: Novel Approach for Precision Livestock Farming.

CoAuthors: Vázquez-Diosdado JA, Paul V, Ellis KA, Coates D, Loomba R, Kaler J.

Sensors (Basel). 2019 Jul 20;19(14). pii: E3201. 


Active-Site Tryptophan, the Target of Antineoplastic C-Terminal Binding Protein Inhibitors, Mediates Inhibitor Disruption of CtBP Oligomerization and Transcription Coregulatory Activities.

CoAuthors: Dcona MM, Damle PK, Zarate-Perez F, Morris BL, Nawaz Z, Dennis MJ, Deng X, Korwar S, Singh SJ, Ellis KC, Royer WE, Bandyopadhyay D, Escalante C, Grossman SR.

Mol Pharmacol. 2019 Jul;96(1):99-108. 


Active-Site Tryptophan, the Target of Antineoplastic C-Terminal Binding Protein Inhibitors, Mediates Inhibitor Disruption of CtBP Oligomerization and Transcription Coregulatory Activities

CoAuthors:  Dcona, M. M.; Damle P. K.; Zarate-Perez F.; Morris B. L.; Nawaz Z.; Dennis M. J.; Deng X.; Korwar S.; Singh S. J.; Royer W. E.; Bandyopadhyay D.; Escalante C.; Grossman S. R.

Mol. Pharm. 2019. 96(1), 99-108. PMID: 31036695.


CtBP-a targetable dependency for tumor-initiating cell activity and metastasis in pancreatic adenocarcinoma

CoAuthors:  Chawla A.T.; Chougoni K.K.; Joshi P.J.; Cororaton A.D.; Memari P.; Stansfield J.C.; Park H.; Seth R.; Szomju B.; Sima A.P.; Idowu M.O..; Grossman S.R.

Oncogenesis. 2019, 8, 55. PMID: 31586042.


Glen Kellogg

Functional diversification of the chemical landscapes of yeast Sec14-like phosphatidylinositol transfer protein lipid-binding cavities.

CoAuthors: Tripathi A, Martinez E, Obaidullah AJ, Lete MG, Lönnfors M, Khan D, Soni KG, Mousley CJ, Kellogg GE, Bankaitis VA.

J Biol Chem. 2019 Dec 13;294(50):19081-19098. 


3D interaction homology: The hydropathic interaction environments of even alanine are diverse and provide novel structural insight.

CoAuthors: Ahmed MH, Catalano C, Portillo SC, Safo MK, Neel Scarsdale J, Kellogg GE.

J Struct Biol. 2019 Aug 1;207(2):183-198. 


Jiong Li

Low doses of decitabine improve the chemotherapy efficacy against basal-like bladder cancer by targeting cancer stem cells. 

CoAuthors: Mingqing Wu, Lu Sheng, Maosheng Cheng, Haojie Zhang, Yizhou Jiang, Shuibin Lin, Yu Liang, Fengyu Zhu, Zhenqing Liu, Yingyin Zhang, Xiuhong Zhang, Qian Gao

Oncogene 38, 5425-5439.   


Aaron May

Animal Models of Type III Secretion System-Mediated Pathogenesis.

CoAuthors: Hotinger JA, May AE.

Pathogens. 2019 Nov 22;8(4). pii: E257.


Natural Product Type III Secretion System Inhibitors.

CoAuthors: Pendergrass HA, May AE.: 10.3390/antibiotics8040162. Review.


Dr. Faik Musayev (In collaboration with Physiology and Biophysics)

The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states.

CoAuthors: Santosh V, Jaiswal R, Zárate-Pérez F, Vandewinkel B, Dierckx C, Endicott M, Sharifi K, Dryden K, Henckaerts E, Escalante CR.

Nucleic Acids Research 2020 Dec 16;48(22):12983-12999.


Martin Safo

Zein-alpha lipoic acid-loaded nanoparticles to enhance the oral bioavailability of dapoxetine: optimization and clinical pharmacokinetic evaluation.

CoAuthors: El-Say KM, Ahmed OA, Mohamed AI, Safo MK, Omar AM.

Int J Nanomedicine. 2019 Sep 12;14:7461-7473. 


Pyridoxamine Supplementation Effectively Reverses the Abnormal Phenotypes of Zebrafish Larvae With PNPO Deficiency.

CoAuthors: Chen PY, Tu HC, Schirch V, Safo MK, Fu TF.

Front Pharmacol. 2019 Sep 20;10:1086. 


Psiadia punctulata major flavonoids alleviate exaggerated vasoconstriction produced by advanced glycation end products.

CoAuthors: Abdallah HM, Zakaria EM, El-Halawany AM, Mohamed GA, Safo MK, El-Bassossy HM.

PLoS One. 2019 Sep 6;14(9):e0222101. 


3D interaction homology: The hydropathic interaction environments of even alanine are diverse and provide novel structural insight.

CoAuthors: Ahmed MH, Catalano C, Portillo SC, Safo MK, Neel Scarsdale J, Kellogg GE.

J Struct Biol. 2019 Aug 1;207(2):183-198. doi: 10.1016/j.jsb.2019.05.007. Epub 2019 May 18.


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