Journal Publications
*undergraduate research student
Book Chapters
Selected Presentations
*undergraduate research student
- E. Deemer, J. Ogas, A. Barr, R. Bowdon, M. Hall, S. Paula, B. Capbianco, and S. Lim. 2021. Scientific research identity development need not wait until college: Examining the motivational impact of a pre-college authentic research experience. Research in Science Education. 52: 1481-1496.
- D. Stanton, J. Baker, A. McCluskey, and S. Paula. 2021. Development and interpretation of a QSAR model for in vitro breast cancer (MCF-7) cytotoxicity of 2-phenyacrylonitriles. Journal of Computer Aided Molecular Design. 35: 613-628. PMID: 33945106.
- J. Baker, B. Pollard, A. Lin, J. Gilbert, S. Paula, X. Zhu, J. Sakoff, and A. McCluskey. 2021. Modelling and phenotypic screening of NAP-6 and 10-Cl-BBQ, AhR ligands displaying selective breast cancer cytotoxicity in vitro. ChemMedChem. 16: 1499-1512. PMID: 33300308.
- A. DeMarco, K. Milholland, A. Pendleton, J. Whitney, P. Zhu, D. Wesenberg, M. Nambiar, A. Pepe, S. Paula, J. Chmielewski, J. Wisecaver, W. Tao, and M. Hall M. 2020. Conservation of Cdc14 phosphatase specificity in plant fungal pathogens: Implications for antifungal development. Scientific Reports. 10: 12073. PMID: 32694511.
- K. Hossain, X. Lia, *T. Zhang, S. Paula, F. Cornelius, and R. J. Clarke. 2020. Polarity of the ATP binding site of the Na+,K+-ATPase, gastric H+,K+-ATPase and sarcoplasmic reticulum Ca2+-ATPase. Biochimica Biophysica Acta - Biomembranes, 1862: 183138. PMID: 31790695.
- R. Kempton, *T. Kidd-Kautz, *S. Laurenceau, and S. Paula. 2019. Heck- and Suzuki-coupling approaches to novel hydroquinone inhibitors of calcium ATPase. Beilstein Journal of Organic Chemistry. 15: 971-975. PMID: 31164934.
- *W. Choi, *V. Villegas, *H. Istre, *B. Heppler, *N. Gonzalez, *N. Brusman, *L. Snider, *E. Hogle, *J. Tucker, *A. Oñate, *S. Oñate, L. Ma, and S. Paula. 2019. Synthesis and characterization of CAPE derivatives as xanthine oxidase inhibitors with radical scavenging properties. Bioorganic Chemistry 86: 686-695. PMID: 30831530.
- J. Baker, J. Gilbert J, S. Paula, X. Zhu, J. Sakoff, and A. McCluskey. 2018. Dichlorophenylacrylonitriles as AhR ligands that display selective breast cancer cytotoxicity in vitro. ChemMedChem. 13: 1447-1458. PMID: 29771007.
- *E. Hofmann, *J. Webster, *T. Do, *R. Kline, *L. Snider, *Q. Hauser, *G. Higginbottom, *A. Campbell, L. Ma, and S. Paula. 2016. Hydroxylated chalcones with dual properties: xanthine oxidase inhibitors and radical scavengers. Bioorganic and Medicinal Chemistry. 24: 578-587. PMID: 26762836.
- S. Paula, *E. Hofmann, J. Burden, and D. Stanton. 2015. Novel phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase: identification and characterization by quantitative structure-activity relationship modeling and virtual screening. Journal of Enzyme Inhibition and Medicinal Chemistry. 30: 1-8. PMID: 24517371.
- *E. Hofmann, *J. Webster, *T. Kidd, *R. Kline, M. Jayasinghe, and S. Paula. 2014. Coumarins with xanthine oxidase inhibiting and radical scavenging properties: Tools to combat oxidative stress in cells. International Journal of Bioscience, Biochemistry and Bioinformatics. 4: 234-239. DOI: 10.7763/IJBBB.2014.V4.346.
- *E. Amato, *T. Bankemper, *R. Kidney, *T. Do, *A. Onate, F. Thowfeik, E. Merino, S. Paula, and L. Ma. 2014. Investigation of fluorinated and bifunctionalized 3-phenylchroman-4-one (isoflavanone) aromatase inhibitors. Bioorganic and Medicinal Chemistry. 22: 126-134. PMID: 24345481.
- S. Paula. 2014. An introduction to passive ion transport across model lipid membranes for undergraduate students: proton permeation measurements in liposomes. Journal of Chemical Education. 91: 145-148. DOI: 10.1021/ed4004172.
- S. Paula, *C. Elam, *M. Woeste, *J. Abell, and R. Kempton. 2013. Hydroquinones with conformationally constrained substituents: synthesis, characterization, and evaluation. International Journal of Bioscience, Biochemistry and Bioinformatics. 3: 535-539. DOI: 10.7763/IJBBB.2013.V3.271.
- *M. Woeste, *J. Steller, *E. Hofmann, *T. Kidd, *R. Patel, *K. Connelly, M. Jayasinghe, and S. Paula. 2013. Structural requirements for inhibitory effects of bisphenols on the activity of the sarco/endoplasmic reticulum calcium ATPase. Bioorganic and Medicinal Chemistry. 21: 3927-3933. PMID: 23643898.
- *K. Bonfield, *E. Amato, *A. Bankemper, *H. Agard, *J. Steller, *J. Keeler, *D. Roy, *A. McCallum, S. Paula, and L. Ma. 2012. Development of a new class of aromatase inhibitors: design, synthesis and inhibitory activity of 3-phenylchroman-4-one (isoflavanone) derivatives. Bioorganic and Medicinal Chemistry. 20: 2603-2613. PMID: 2244875.
- *C. Elam, M. *Lape, *J. Deye, J. Zultowsky, D. T. Stanton, and S. Paula. 2011. Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European Journal of Medicinal Chemistry. 46: 1512-1523. PMID: 21353727.
- *M. Lape, *C. Elam, and S. Paula. 2010. Comparison of current docking tools for the simulation of inhibitor binding by the transmembrane domain of the sarco/endoplasmic reticulum calcium ATPase. Biophysical Chemistry. 150: 88-97. PMID: 20167416.
- *M. Lape, S. Paula, and W. J. Ball, Jr. 2010. A molecular model for cocaine binding by the immunotherapeutic human/mouse chimeric monoclonal antibody 2E2. European Journal of Medicinal Chemistry. 45: 2291-2298. PMID: 20185210.
- S. Paula, *J. Abell, *J. Deye, *C. Elam, *M. Lape, *J. Purnell, *R. Ratliff, *K. Sebastian, J. Zultowsky, and R. J. Kempton. 2009. Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase. Bioorganic and Medicinal Chemistry. 17: 6613-6619. PMID: 19699645.
- *J. Deye, *C. Elam, *M. Lape, *R. Ratliff, *K. Evans, and S. Paula. 2009. Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation. Bioorganic and Medicinal Chemistry. 17: 1353-1360. PMID: 19117760.
- *M. Lape, *C. Elam, *M. Versluis, R. Kempton, and S. Paula. 2008. Molecular determinants of sarco/endoplasmic reticulum calcium ATPase inhibition by hydroquinone-based compounds. Proteins: Structure, Function, and Bioinformatics. 70: 639-649. PMID: 17879345.
- D. Stanton, *J. Ankenbauer, *D. Rothgeb, *M. Draper, and S. Paula. 2007. Identification and characterization of novel sodium/potassium-ATPase inhibitors by virtual screening of a compound database. Bioorganic and Medicinal Chemistry. 15: 6062-6070. PMID: 17618121.
- S. Paula, N. Monson, and W. Ball, Jr. 2005. Structural modeling of the binding site of the human monoclonal anti-digoxin antibody 1B3. Proteins: Structure, Function, and Bioinformatics. 60: 382-391. PMID: 15971203.
- S. Keenan, R. Delisle, W. Ball, S. Paula, W. Welsh. 2005. Elucidation of the Na+, K+-ATPase digitalis binding site. Journal of Molecular Graphics and Modeling. 23: 465-475. PMID: 15886034.
- S. Paula, M. Tabet, and W. Ball, Jr. 2005. Interactions between cardiac glycosides and sodium/potassium-ATPase: 3D structure-activity relationship models for ligand binding to the E2-Pi form of the enzyme versus activity inhibition. Biochemistry. 44: 498-510. PMID: 15641774.
- S. Paula and W. Ball, Jr. 2004. The molecular determinants of thapsigargin binding to SERCA Ca2+-ATPase: A computational docking study. Proteins: Structure, Function, and Bioinformatics. 56: 595-606. PMID: 15229891.
- S. Paula, M. Tabet, A. Norman, and W. Ball, Jr. 2004. Modeling of cocaine binding by a novel human monoclonal antibody. Journal of Medicinal Chemistry. 47: 133-142. PMID: 14695827.
- W. Ball, Jr., C. Farr, S. Paula, S. Keenan, R. DeLisle, and W. Welsh. 2003. Three-dimensional structure-activity relationship modeling of digoxin inhibition and docking to Na+,K+-ATPase. Annals of the New York Academy of Sciences. 986: 296-297.
- S. Paula, M. Tabet, S. Keenan, W. Welsh, and W. Ball, Jr. 2002. Three-dimensional structure-activity relationship modeling of cocaine binding to two monoclonal antibodies by comparative molecular field analysis. Journal of Molecular Biology. 325: 515-530. PMID: 12498800.
- J. Tittor, S. Paula, S. Subramaniam, J. Heberle, R. Henderson, D. Oesterhelt. 2002. Proton translocation by bacteriorhodopsin in the absence of substantial conformational changes. Journal of Molecular Biology. 319: 555-565. PMID: 1205192.
- S. Paula, J. Tittor, and D. Oesterhelt. 2001. Roles of cytoplasmic arginine and threonine in chloride transport by the bacteriorhodopsin mutant D85T. Biophysical Journal. 80: 2386-2395. PMID: 1132573.
- S. Paula, M. Akeson, and D. Deamer. 1999. Water transport by the bacterial channel a-hemolysin. Biochimica et Biophysica Acta. 1418: 117-126. PMID: 10209216.
- S. Paula and D. Deamer. 1999. Membrane permeability barriers to ionic and polar solutes. Current Topics in Membranes. 48: 77-95.
- S. Paula, A. Sucheta, I. Szundi, and O. Einarsdóttir. 1999. Proton and electron transfer during the reduction of molecular oxygen by fully reduced cytochrome c oxidase: a flow-flash investigation using optical multichannel detection. Biochemistry. 38: 3025-3033. PMID: 10074355.
- S. Paula, A. G., Volkov, and D. W. Deamer. 1998. Permeation of halide anions through phospholipid bilayers occurs by the solubility-diffusion mechanism. Biophysical Journal. 74: 319-327. PMID: 9449332.
- A. G. Volkov, S. Paula, and D. W. Deamer. 1997. Two mechanisms of permeation of small neutral molecules and hydrated ions across phospholipid bilayers. Bioelectrochemistry and Bioenergetics. 42: 153-160.
- S. Paula, A. G. Volkov, A. N. Van Hoek, T. H. Haines, and D. W. Deamer. 1996. Permeation of protons, potassium ions, and small polar molecules through phospholipid bilayers as a function of membrane thickness. Biophysical Journal. 70: 339-348. PMID: 8770210.
- S. Paula, W. Süss, J. Tuchtenhagen, and A. Blume. 1995. Thermodynamics of micelle formation as a function of temperature - a high sensitivity titration calorimetry study. Journal of Physical Chemistry. 99: 11742-11751.
- A. Blume, J. Tuchtenhagen, and S. Paula. 1993. Application of titration calorimetry to study binding of ions, detergents, and polypeptides to lipid bilayers. Progress in Colloid and Polymer Science. 93: 118-122.
Book Chapters
- S. Paula, J. Baker, X. Zhu, and A. McCluskey. 2019. Binding of chlorinated phenylacrylonitriles to the aryl hydrocarbon receptor: computational docking and molecular dynamics simulations. In: Molecular Docking and Molecular Dynamics Editor: A. Stefaniu. IntechOpen, London, UK.
- S. Paula. 2008. Progress in the discovery of SERCA inhibitors. In: Medicinal Chemistry Research Progress. Editors: G. P. Colombo and S. Ricci. Nova Science Publishers, New York.
Selected Presentations
- "A research experience for undergraduate students in drug discovery: Phenolic inhibitors of calcium ATPases". Invited seminar at the Department of Chemistry at California Sate University, San Jose, CA. February 2021.
- "Computer-assisted discovery of novel bioactive compounds." Invited seminar at the Department of Chemistry at California State University, Sacramento, CA, November 2019.
- “Engaging undergraduate students in drug discovery research: Inhibitors of the sarco/endoplasmic reticulum calcium ATPase and of xanthine oxidase.” Invited seminar at the Department of Chemistry at the University of Newcastle, Newcastle, NSW, Australia, April 2018.
- “Engaging undergraduate students in drug discovery research: Phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase.”Invited seminar at the Department of Chemistry at the University of Queensland, Brisbane, QLD, Australia, April 2018.
- “Throwing a monkey wrench into the gears of a smoothly operating machine: Phenolic inhibitors of the sarco/endo-plasmic reticulum calcium ATPase.” Invited seminar at the Department of Chemistry at the University of Sydney, Sydney, NSW, Australia, November 2016.
- “Targeting P-type ATPases: Recent developments and future perspectives.” Keynote Speech. Delivered at the International Conference on Advances in Bioscience and Bioengineering, Sydney, Australia, May 2014.
- “Hydroquinones with conformationally constrained substituents: Synthesis, characterization, and evaluation.” Oral presentation at the International Journal Conference on Bioscience, Biochemistry, and Bioinformatics, Hong Kong, June 2013.