Results 241 to 250 of about 2,598,515 (356)

QUANTUM-TOX - Revolutionizing Computational Toxicology with Electronic Structure Descriptors and Artificial Intelligence [PDF]

openalex   +1 more source

Nrf2‐Mediated Ferroptosis Is Involved in Berberine‐Induced Alleviation of Diabetic Kidney Disease

Phytotherapy Research, EarlyView.
ABSTRACT Diabetic kidney disease (DKD) is the most common and serious complication of diabetes mellitus. Currently, there is a lack of safe and effective preventive strategies for DKD. The study aimed to explore the preventive effects and potential mechanisms of berberine (BBR) against DKD.
Kun Gao, Yunhua Liu, Kun Li, Lin Liu, Yanmo Cai, Xinxue Zhang, Zongjiang Zhao   +6 more
wiley   +1 more source

Editorial: Methods in predictive toxicology 2023. [PDF]

Front Pharmacol
Jain S, Manganelli S, Gryshkova V, Rodrigues MA, Magarkar A.   +4 more
europepmc   +1 more source

From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity

Small, EarlyView.
Antimicrobial peptides (AMPs) are promising candidates for next‐generation antibiotics, acting through mechanisms such as membrane disruption and intracellular targeting. This review examines how variations in bacterial membrane composition critically influence AMP activity.
Paolo Rossetti, Marius F.W. Trollmann, Christina Wichmann, Thomas Gutsmann, Christian Eggeling, Rainer A. Böckmann   +5 more
wiley   +1 more source

Exploring the toxicological effects of DOTP exposure on periodontitis by combining molecular docking and molecular dynamics simulations. [PDF]

Sci Rep
Wang J, Deng Q, Qi L.
europepmc   +1 more source

Metal–Organic Frameworks for the Capture of Chlorinated Volatile Organic Compounds: A Case Study on Perchloroethylene

Small, EarlyView.
Indoor air pollution from chlorinated volatile organic compounds like perchloroethylene (PCE) poses health risks. Conventional abatement methods are energy‐intensive, but adsorption‐based techniques using metal–organic frameworks (MOFs) offer eco‐friendly alternatives.
Pedro Freire Brântuas, Karuppasamy Gopalsamy, Marvin Radke, Paul Iacomi, Kamal Batra, Niklas Ruser, Jonas Gosch, Carla Vieira Soares, Guillaume Maurin, Norbert Stock, Sabine Devautour‐Vinot   +10 more
wiley   +1 more source

Chalcogenide Materials in Water Purification: Advances in Adsorptive and Photocatalytic Removal of Organic Pollutants

Small, EarlyView.
Chalcogenide materials emerge as efficient agents for water purification, enabling adsorptive and photocatalytic removal of dyes, pharmaceuticals, and pesticides. This review highlights recent advances in synthesis, structural tuning, and pollutant interaction mechanisms, while addressing challenges of toxicity and scalability. Insights into the future
Damilola Caleb Akintayo, Tunde Lewis Yusuf, Nonhlangabezo Mabuba   +2 more
wiley   +1 more source

Correction: Computational evaluation of efflux pump homologues and lignans as potent inhibitors against multidrug-resistant Salmonella typhi. [PDF]

PLoS One
Shafique I, Rafiq M, Rana NF, Menaa F, Almalki F, Aljuaid A, Alnasser SM, Alotaibi AS, Masood MBE, Tanweer T.   +9 more
europepmc   +1 more source

Computational toxicology: realizing the promise of the toxicity testing in the 21st century. [PDF]

Environ Health Perspect, 2010
Rusyn I, Daston GP.
europepmc   +1 more source

Computational Toxicology of Chloroform: Reverse Dosimetry Using Bayesian Inference, Markov Chain Monte Carlo Simulation, and Human Biomonitoring Data

, 2008
Michael A. Lyons, Raymond S. H. Yang, Arthur N. Mayeno, Brad Reisfeld   +3 more
openalex   +1 more source