Unleashing the Potential of 1,3-Diketone Analogues as Selective LH2 Inhibitors.

Autor: Lee J; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas at Austin, Austin, Texas 78712, United States.; Targeted Therapeutic Drug Discovery and Development Program, College of Pharmacy, University of Texas, Austin, Texas 78712, United States., Guo HF; Department of Molecular and Cellular Biochemistry, University of Kentucky College of Medicine, Lexington, Kentucky 40536, United States., Wang S; Department of Thoracic/Head and Neck Medical Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas 77030, United States., Maghsoud Y; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States., Vázquez-Montelongo EA; Department of Physical Medicine and Rehabilitation, The University of Texas Southwestern Medical Center, Dallas, Texas 75390, United States., Jing Z; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Sammons RM; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas at Austin, Austin, Texas 78712, United States.; Targeted Therapeutic Drug Discovery and Development Program, College of Pharmacy, University of Texas, Austin, Texas 78712, United States., Cho EJ; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas at Austin, Austin, Texas 78712, United States.; Targeted Therapeutic Drug Discovery and Development Program, College of Pharmacy, University of Texas, Austin, Texas 78712, United States., Ren P; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Cisneros GA; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States.; Department of Physics, The University of Texas at Dallas, Richardson, Texas 75080, United States., Kurie JM; Department of Thoracic/Head and Neck Medical Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas 77030, United States., Dalby KN; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, University of Texas at Austin, Austin, Texas 78712, United States.; Targeted Therapeutic Drug Discovery and Development Program, College of Pharmacy, University of Texas, Austin, Texas 78712, United States.

Publikováno v: ACS medicinal chemistry letters [ACS Med Chem Lett] 2023 Sep 22; Vol. 14 (10), pp. 1396-1403. Date of Electronic Publication: 2023 Sep 22 (Print Publication: 2023).

Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition.

Autor: Maghsoud Y; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States., Vázquez-Montelongo EA; Department of Physical Medicine and Rehabilitation, University of Texas Southwestern Medical Center, Dallas, Texas 75390, United States., Yang X; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Liu C; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Jing Z; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Lee J; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, The University of Texas at Austin, Austin, Texas 78712, United States., Harger M; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Smith AK; Department of Chemistry, University of North Texas, Denton, Texas 76201, United States., Espinoza M; Department of Chemistry, University of North Texas, Denton, Texas 76201, United States., Guo HF; Department of Molecular and Cellular Biochemistry, College of Medicine, The University of Kentucky, Lexington, Kentucky 40536, United States., Kurie JM; Department of Thoracic/Head and Neck Medical Oncology, The University of Texas MD Anderson Cancer Center, Houston, Texas 77005, United States., Dalby KN; Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy, The University of Texas at Austin, Austin, Texas 78712, United States., Ren P; Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States., Cisneros GA; Department of Chemistry and Biochemistry, The University of Texas at Dallas, Richardson, Texas 75080, United States.; Department of Physics, The University of Texas at Dallas, Richardson, Texas 75080, United States.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2023 Feb 13; Vol. 63 (3), pp. 986-1001. Date of Electronic Publication: 2023 Jan 30.

Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families.

Autor: Berger MB; Department of Chemistry, University of North Texas, Denton, Texas, 76201, USA. andres@unt.edu., Walker AR; Department of Chemistry, Wayne State University, Detroit, Michigan, 48202, USA., Vázquez-Montelongo EA; Department of Chemistry, University of North Texas, Denton, Texas, 76201, USA. andres@unt.edu., Cisneros GA; Department of Chemistry, University of North Texas, Denton, Texas, 76201, USA. andres@unt.edu.

Publikováno v: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2021 Oct 13; Vol. 23 (39), pp. 22227-22240. Date of Electronic Publication: 2021 Oct 13.

Ground State Destabilization in Uracil DNA Glycosylase: Let's Not Forget "Tautomeric Strain" in Substrates.

Autor: Das R; Department of Chemistry , University of Houston , Houston , Texas 77204 , United States., Vázquez-Montelongo EA; Department of Chemistry , University of North Texas , Denton , Texas 76201 , United States., Cisneros GA; Department of Chemistry , University of North Texas , Denton , Texas 76201 , United States., Wu JI; Department of Chemistry , University of Houston , Houston , Texas 77204 , United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2019 Sep 04; Vol. 141 (35), pp. 13739-13743. Date of Electronic Publication: 2019 Aug 26.

Polarizable ab initio QM/MM Study of the Reaction Mechanism of N - tert -Butyloxycarbonylation of Aniline in [EMIm][BF₄].

Autor: Vázquez-Montelongo EA; Department of Chemistry, University of North Texas, Denton, TX 76201, USA. erikvazquezmontelongo@my.unt.edu., Vázquez-Cervantes JE; Department of Chemistry, University of North Texas, Denton, TX 76201, USA. enriquevazquezcervantes@my.unt.edu., Cisneros GA; Department of Chemistry, University of North Texas, Denton, TX 76201, USA. andres@unt.edu.; The Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas, Denton, TX 76201, USA. andres@unt.edu.

Publikováno v: Molecules (Basel, Switzerland) [Molecules] 2018 Oct 31; Vol. 23 (11). Date of Electronic Publication: 2018 Oct 31.