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Adrian E. Roitberg
Researcher at University of Florida
Publications - 216
Citations - 23196
Adrian E. Roitberg is an academic researcher from University of Florida. The author has contributed to research in topics: Molecular dynamics & Excited state. The author has an hindex of 54, co-authored 205 publications receiving 18991 citations. Previous affiliations of Adrian E. Roitberg include University of California, San Diego & Facultad de Ciencias Exactas y Naturales.
Papers
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Journal ArticleDOI
Abstract 4055: First in class multifunctional non classical antifolates inhibits thymidylate synthase and extends survival in pancreatic cancer model
Maria V. Guijarro,Patrick Kellish,Peter Dib,Nicholas G. Paciaroni,Akbar Nawab,Jacob T. Andring,Lidia V. Kulemina,Nicholas V. Borrero,Carlos P. Modenutti,Richard L. Bennett,Daniil Shabashvili,Jonathan D. Licht,Robert McKenna,Adrian E. Roitberg,Robert W. Huigens,Frederic J. Kaye,Maria Zajac-Kaye +16 more
TL;DR: First in class multifunctional non classical antifolates inhibits thymidylate synthase and extends survival in pancreatic cancer model and is well tolerated with equal efficacy using either intraperitoneal or oral administration.
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First-in-class multifunctional TYMS non-classical antifolate inhibitor with potent in vivo activity that prolongs survival.
Maria V. Guijarro,Patrick Kellish,Peter Dib,Nicholas G. Paciaroni,Akbar Nawab,Jacob T. Andring,Lidia V. Kulemina,Nicholas V. Borrero,Carlos P. Modenutti,Michael G Feely,Elham Nasri,Robert P. Seifert,Xiaoping Liu,Richard L. Bennett,Daniil Shabashvili,Jonathan D. Licht,Robert McKenna,Adrian E. Roitberg,Robert W Huigens Iii,Frederic J. Kaye,Maria Zajac-Kaye +20 more
TL;DR: In this paper , a small molecule antifolate inhibitor of thymidylate synthase (TYMS) was proposed. But, it was not shown to have the ability to inhibit dihydrofolate reductase.
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Abstract 1657: Discovery of a first-in-class multifunctional TYMS non-classical antifolate inhibitors with potent in vivo activity that prolongs survival
Peter Dib,Maria Jose Muñoz Guijarro,Patrick Kellish,Akbar Nawab,Jacob T. Andring,Lidia V. Kulemina,Carlos P. Modenutti,Richard L. Bennett,Jonathan D. Licht,Robert McKenna,Adrian E. Roitberg,Frederic J. Kaye,Maria Zajac-Kaye +12 more
TL;DR: Dib et al. as mentioned in this paper reported a small molecule tyMS inhibitor and its two analogues that exhibit enhanced anti-tumor activity as compared to current fluoropyrimidines and antifolates without inducing tyMS overexpression.
Structural Control, Resonant Tunneling and Length Dependence
TL;DR: In this paper, the linear and nonlinear conductance of molecular wire interconnects are discussed, including energy dependence of molecular conductance, resonant tunneling behavior, control of conductance by molecular structure and geometry, length dependence including the tunneling regime energetics.
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The any particle molecular orbital/molecular mechanics approach.
TL;DR: The results suggest that the APMO/MM scheme might be used as a low-cost multi-component alternative for studies of local properties in big molecular systems.