Discovery of Nirmatrelvir Resistance Mutations in SARS-CoV-2 3CLpro: A Computational-Experimental Approach.

Autor: Havranek B; Sidney Kimmel Medical College at Thomas Jefferson University, Philadelphia, Pennsylvania 19107, United States.; ComputePharma, LLC, Chicago, Illinois 60607, United States., Demissie R; Department of Pharmaceutical Sciences, College of Pharmacy, University of Illinois at Chicago, Chicago, Illinois 60607, United States.; Biophysics Core at Research Resource Center, University of Illinois at Chicago, Chicago, Illinois 60607, United States., Lee H; Department of Pharmaceutical Sciences, College of Pharmacy, University of Illinois at Chicago, Chicago, Illinois 60607, United States.; Biophysics Core at Research Resource Center, University of Illinois at Chicago, Chicago, Illinois 60607, United States., Lan S; Center for ViroScience and Cure, Laboratory of Biochemical Pharmacology, Department of Pediatrics, Emory University School of Medicine, Atlanta, Georgia 30322, United States.; Children's Healthcare of Atlanta, Atlanta, Georgia 30322, United States., Zhang H; Center for ViroScience and Cure, Laboratory of Biochemical Pharmacology, Department of Pediatrics, Emory University School of Medicine, Atlanta, Georgia 30322, United States.; Children's Healthcare of Atlanta, Atlanta, Georgia 30322, United States., Sarafianos S; Center for ViroScience and Cure, Laboratory of Biochemical Pharmacology, Department of Pediatrics, Emory University School of Medicine, Atlanta, Georgia 30322, United States.; Children's Healthcare of Atlanta, Atlanta, Georgia 30322, United States., Ayitou AJ; Department of Chemistry, University of Illinois Chicago, Chicago, Illinois 60607, United States., Islam SM; ComputePharma, LLC, Chicago, Illinois 60607, United States.; Department of Chemistry, Delaware State University, Dover, Delaware 19901, United States.

Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2023 Nov 27; Vol. 63 (22), pp. 7180-7188. Date of Electronic Publication: 2023 Nov 10.

Photophysical Insights of Halogenated Dipyrrolonaphthyridine-Diones as Potential Photodynamic Therapy Agents ^† .

Autor: Morgan J; Contribution from the Department of Chemistry, Illinois Institute of Technology, Chicago, IL., Yun YJ; Contribution from the Department of Chemistry, Illinois Institute of Technology, Chicago, IL.; Department of Chemistry, University of Illinois Chicago, Chicago, IL., Jamhawi AM; Department of Chemistry, University of Illinois Chicago, Chicago, IL., Islam SM; Department of Chemistry, University of Illinois Chicago, Chicago, IL., Ayitou AJ; Contribution from the Department of Chemistry, Illinois Institute of Technology, Chicago, IL.; Department of Chemistry, University of Illinois Chicago, Chicago, IL.

Publikováno v: Photochemistry and photobiology [Photochem Photobiol] 2023 Mar; Vol. 99 (2), pp. 761-768. Date of Electronic Publication: 2023 Jan 04.

Design, synthesis, and biological evaluation of novel imidazo[1,2-a]pyridinecarboxamides as potent anti-tuberculosis agents.

Autor: Onajole OK; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Lun S; Division of Infectious Disease, Department of Medicine, Center for Tuberculosis Research, Johns Hopkins School of Medicine, Baltimore, MD, USA., Yun YJ; Department of Chemistry, Illinois Institute of Technology, Chicago, IL, USA., Langue DY; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Jaskula-Dybka M; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Flores A; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Frazier E; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Scurry AC; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Zavala A; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Arreola KR; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Pierzchalski B; Department of Biological, Physical and Health Sciences, Roosevelt University, Chicago, IL, USA., Ayitou AJ; Department of Chemistry, Illinois Institute of Technology, Chicago, IL, USA., Bishai WR; Division of Infectious Disease, Department of Medicine, Center for Tuberculosis Research, Johns Hopkins School of Medicine, Baltimore, MD, USA.; Howard Hughes Medical Institute, Chevy Chase, MD, USA.

Publikováno v: Chemical biology & drug design [Chem Biol Drug Des] 2020 Dec; Vol. 96 (6), pp. 1362-1371. Date of Electronic Publication: 2020 Jul 09.

A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.

Autor: Shokri S; Department of Chemistry, Illinois Institute of Technology , Chicago, Illinois 60616, United States., Li J; Department of Chemistry, Illinois Institute of Technology , Chicago, Illinois 60616, United States., Manna MK; Department of Chemistry, Illinois Institute of Technology , Chicago, Illinois 60616, United States., Wiederrecht GP; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States., Gosztola DJ; Center for Nanoscale Materials, Argonne National Laboratory , Argonne, Illinois 60439, United States., Ugrinov A; Department of Chemistry and Biochemistry, North Dakota State University , Fargo, North Dakota 58106, United States., Jockusch S; Department of Chemistry, Columbia University , New York, New York 10025, United States., Rogachev AY; Department of Chemistry, Illinois Institute of Technology , Chicago, Illinois 60616, United States., Ayitou AJ; Department of Chemistry, Illinois Institute of Technology , Chicago, Illinois 60616, United States.

Publikováno v: The Journal of organic chemistry [J Org Chem] 2017 Oct 06; Vol. 82 (19), pp. 10167-10173. Date of Electronic Publication: 2017 Sep 11.

Photochemistry and Transmission Pump-Probe Spectroscopy of 2-Azidobiphenyls in Aqueous Nanocrystalline Suspensions: Simplified Kinetics in Crystalline Solids.

Autor: Chung TS; Department of Chemistry and Biochemistry, University of California , Los Angeles, California 90095-1569, United States., Ayitou AJ; Department of Chemistry and Biochemistry, University of California , Los Angeles, California 90095-1569, United States., Park JH; Department of Chemistry and Biochemistry, University of California , Los Angeles, California 90095-1569, United States., Breslin VM; Department of Chemistry and Biochemistry, University of California , Los Angeles, California 90095-1569, United States., Garcia-Garibay MA; Department of Chemistry and Biochemistry, University of California , Los Angeles, California 90095-1569, United States.

Publikováno v: The journal of physical chemistry letters [J Phys Chem Lett] 2017 Apr 20; Vol. 8 (8), pp. 1845-1850. Date of Electronic Publication: 2017 Apr 11.