Artificial intelligence (AI) and alternative variables (AV) in drug discovery: A promising alliance.

Autor: Abad-Zapatero C; Institute for Tuberculosis Research, Center for Biomolecular Sciences, Department of Pharmaceutical Sciences, College of Pharmacy, University of Illinois Chicago, Chicago, IL, 60607, United States. Electronic address: caz@uic.edu.

Publikováno v: Drug discovery today [Drug Discov Today] 2024 May; Vol. 29 (5), pp. 103978. Date of Electronic Publication: 2024 Apr 09.

Exploring the dark side of tertiary and quaternary structure dynamics in Mtb FBPaseII.

Autor: Greco GLC; Department of Pharmacy, School of Pharmaceutical Sciences, University of São Paulo, São Paulo, Brazil., Segretti N; Spektra Scientific Solutions, São Paulo, Brazil., Abad-Zapatero C; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, IL, USA.; Center for Biomolecular Sciences, University of Illinois at Chicago, Chicago, IL, USA., Movahedzadeh F; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, IL, USA.; Department of Pharmaceutical Sciences, University of Illinois at Chicago, Chicago, IL, USA., Hirata MH; Department of Clinical and Toxicological Analyses, School of Pharmaceutical Sciences, University of Sao Paulo, São Paulo, Brazil., Ferreira EI; Department of Pharmacy, School of Pharmaceutical Sciences, University of São Paulo, São Paulo, Brazil., Ferreira GM; Department of Clinical and Toxicological Analyses, School of Pharmaceutical Sciences, University of Sao Paulo, São Paulo, Brazil.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024; Vol. 42 (22), pp. 12408-12416. Date of Electronic Publication: 2023 Oct 14.

New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class.

Autor: Selezneva AI; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, Illinois, United States of America., Harding LNM; Department of Pharmaceutical Sciences, University of Illinois at Chicago, Chicago, Illinois, United States of America., Gutka HJ; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, Illinois, United States of America., Movahedzadeh F; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, Illinois, United States of America.; Department of Pharmaceutical Sciences, University of Illinois at Chicago, Chicago, Illinois, United States of America., Abad-Zapatero C; Institute for Tuberculosis Research, University of Illinois at Chicago, Chicago, Illinois, United States of America.; Center for Biomolecular Sciences, University of Illinois at Chicago, Chicago, Illinois, United States of America.

Publikováno v: PloS one [PLoS One] 2023 Jun 23; Vol. 18 (6), pp. e0274723. Date of Electronic Publication: 2023 Jun 23 (Print Publication: 2023).

Ligand efficiency indices for effective drug discovery: a unifying vector formulation.

Autor: Abad-Zapatero C; Department of Pharmaceutical Sciences, Institute of Tuberculosis Research, Center for Biomolecular Sciences, University of Illinois at Chicago, Chicago, Illinois.

Publikováno v: Expert opinion on drug discovery [Expert Opin Drug Discov] 2021 Jul; Vol. 16 (7), pp. 763-775. Date of Electronic Publication: 2021 Mar 11.

AMTAC-19, a Spiro-Acridine Compound, Induces In Vitro Antitumor Effect via the ROS-ERK/JNK Signaling Pathway.

Autor: Sousa, Valgrícia Matias de¹ (AUTHOR), Duarte, Sâmia Sousa¹ (AUTHOR), Ferreira, Rafael Carlos¹ (AUTHOR), Sousa, Natália Ferreira de¹ (AUTHOR), Scotti, Marcus Tullius¹ (AUTHOR), Scotti, Luciana¹ (AUTHOR), Silva, Marcelo Sobral da¹ (AUTHOR), Tavares, Josean Fechine¹ (AUTHOR), Moura, Ricardo Olímpio de² (AUTHOR), Gonçalves, Juan Carlos Ramos¹ (AUTHOR), Sobral, Marianna Vieira¹ (AUTHOR) mariannavbs@gmail.com

Publikováno v: Molecules. Nov2024, Vol. 29 Issue 22, p5344. 21p.