S. Wayne Mascarella
Research Interests
- Molecular modeling
- 3D-QSAR
- Chemoinformatics
- Molecular docking
- Quantum mechanics-based property prediction
Biography
S. Wayne Mascarella, PhD, received his doctorate under the direction of Dr. Michael T. Crimmins at the University of North Carolina at Chapel Hill while developing total syntheses of triquinane and fenestrane terpenoid natural products via photochemical and organocuprate chemistry. Preceding his graduate research, Dr. Mascarella, as a research associate in the Department of Physiology of the Louisiana State University School of Medicine, worked on the synthesis of hemicholinium neurotoxins. Later, Dr. Mascarella joined the Center for Bio-Organic Studies at the University of New Orleans as a research associate in HPLC, gas chromatography, and mass spectrometry methods development and microanalysis. Since joining RTI International in 1986, Dr. Mascarella has worked on projects involving the design and synthesis of new enzyme inhibitors and neurotransmitter receptor ligands. Dr. Mascarella has also participated in pioneering the application of computational chemistry and chemoinformatics at RTI.
Education
PhD, Organic Chemistry, University of North Carolina-Chapel Hill; BS, Chemistry, Louisiana State University-Baton Rouge
Selected Publications
Zhang, Y., Burgess, J.P., Brackeen, M., Gilliam, A., Mascarella, S.W., Page, K., Seltzman, H.H., & Thomas, B.F. (May 2008). Conformationally constrained analogues of N-(Piperidinyl)-5-(4-Chlorophenyl)-1-(2,4- Dichlorophenyl)-4-Methyl-1H-Pyrazole-3-Carboxamide (SR141716): Design, synthesis, computational analysis, and biological evaluations. Journal of Medicinal Chemistry, 51 (12):3526-3539.
Thomas, B.F., Zhang, Y., Brackeen, M., Page, K.M., Mascarella, S.W., & Seltzman, H.H. (2008). Conformational characteristics of the interaction of SR141716A with the CB1 cannabinoid receptor as determined through the use of confomationally constrained analogs. In R.S. Rapaka, & W. Sadee (Ed.), Drug Addiction: From Basic Research to Therapy. New York, NY: Springer.
Carroll, F.I., Robinson, T.P., Brieaddy, L.E., Atkinson, R.N., Mascarella, S.W., Damaj, M.I., Martin, B.R., & Navarro, H.A. (2007 Dec 13). Synthesis and nicotinic acetylcholine receptor binding properties of bridged and fused ring analogues of epibatidine. Journal of Medicinal Chemistry, 50 (25):6383-6391.
Carroll, F.I., Melvin, M.S., Nuckols, M.C., Mascarella, S.W., Navarro, H.A., & Thomas, J.B. (Mar 2006). N-substituted 4beta-methyl-5-(3-hydroxyphenyl)-7alpha-amidomorphans are potent, selective kappa opioid receptor antagonists. Journal of Medicinal Chemistry, 49 (5):1781-1791.
Carroll, F.I., Zhang, L., Mascarella, S.W., Navarro, H.A., Rothman, R.B., Cantrell, B.E., Zimmerman, D.M., & Thomas, J.B. (2004). Discovery of the first N-substituted 4 beta-methyl-5-(3-hydroxyphenyl) morphan to possess highly potent and selective opioid delta receptor antagonist activity. Journal of Medicinal Chemistry, 47 (2):281-284.
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