Results 121 to 130 of about 21,882 (246)

A Comprehensive Study to Compare Different Compound Representations for Predicting Carcinogenicity In Vivo

Journal of Applied Toxicology, EarlyView.
ABSTRACT Carcinogenicity evaluation is a critical component of chemical risk assessment, yet traditional in vivo testing remains time consuming, costly, and ethically challenging. Computational approaches based on machine learning offer promising alternatives, but the relative contributions of different molecular representation strategies for ...
Iuri Barbosa Pereira, Rogerio Salvini, Eloisa Dutra Caldas   +2 more
wiley   +1 more source

Deciphering the role of per- and polyfluoroalkyl substances in prostate cancer: a multi-omics and computational toxicology approach. [PDF]

Front Cell Dev Biol
Zhang K, Che B, Li W, Luo H.
europepmc   +1 more source

Bio‐guided fractionation of (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid from Abelmoschus sagittifolius root as a potent α‐glucosidase inhibitor: An integrated in vitro and in silico study

Journal of the Science of Food and Agriculture, EarlyView.
Abstract BACKGROUND Abelmoschus sagittifolius stands out as a valuable medicinal source for developing functional food targeting type 2 diabetes. This study investigated the α‐glucosidase inhibitory potential of an active fraction obtained from A. sagittifolius roots (ASR), enriched in (9Z)‐5,8,11‐trihydroxyoctadec‐9‐enoic acid (OA), using both enzyme ...
Nguyen Phuong Mai, Nguyen Van Quan, Nguyen Dang Duc, Tran Dang Xuan   +3 more
wiley   +1 more source

Toxicity Differences Between Microplastics and Nanoplastics in Organs: From Molecular Mechanisms to Potential Therapeutic Strategies

Med Research, EarlyView.
This review systematically compares the size‐dependent toxicity of microplastics and nanoplastics in the intestine, liver, kidney, lung, and brain. Particle size determines bioavailability, barrier penetration, and injury mechanisms. Because of their small size and high surface reactivity, NPs readily cross the intestinal epithelium and blood–brain ...
Yixian Cheng, Junjie Chen, Rui Fu, Jiawei Zhang, Jianguang Jia, Wei Wang, Zheng Zhang, Peng Zhang, Haosong Chen, Huake Cao, Gang Li, Weiwei Sheng, Ting Li, Bo Chen, Guodong Cao   +14 more
wiley   +1 more source

Unraveling the potential carcinogenic risk of bisphenols: a comprehensive network analysis and computational toxicology insights. [PDF]

Hum Genomics
Li T, Yan Z, Zhao W, Hou Y, Lv S, Zeng Z, Yang L, Zhou M, Zhang F, Ren X, Zhou Y, Zhu Z, Huang S, Yang M.   +13 more
europepmc   +1 more source

Late INa as a Therapeutic Target: New Strategies, Computational Modelling, Drug Development, and Clinical Translation

Medicinal Research Reviews, EarlyView.
ABSTRACT The Nav1.5 channel, a major isoform of voltage‐gated sodium ion channel, is mainly found in ventricular cardiomyocytes, playing a key role in generating essential cardiac action potentials for normal heart rhythms. Mutations in Nav1.5 have been associated with severe heart conditions such as long QT syndrome, Brugada syndrome, cardiac ...
Arkapravo Chattopadhyay, Lynn C. Lunsonga, Peter E. Light, Khaled Barakat   +3 more
wiley   +1 more source

Heterogeneous Biological Responses to Low-Level Sodium Saccharin Exposure: An Integrated Computational Toxicology and Mendelian Randomization Study. [PDF]

Dose Response
Xin Z, Yanchun W, Xinwang C, Xuemei W.
europepmc   +1 more source

Artificial Intelligence‐Driven Natural Product Drug Discovery: From Computational Genome Mining to Clinical Translation

Medicinal Research Reviews, EarlyView.
ABSTRACT Natural products (NPs) have historically yielded numerous therapeutic agents, yet their integration into modern drug discovery has been constrained by chemical complexity, low abundance, laborious dereplication, and limited target annotation.
Antonio Lavecchia
wiley   +1 more source

Prime editing in neuropsychiatric disorders: From mutation‐specific target selection to clinical translation

Neuroprotection, EarlyView.
Abstract Prime editing, a novel clustered regularly interspaced short palindromic repeats (CRISPR)‐based technology, fuses a reverse transcriptase (RT) to an engineered CRISPR‐associated protein 9 (Cas9) and uses a prime editing guide RNA (pegRNA)‐encoded template.
Tianshan Ji, Yuan Zhang, Jinyi Zhao, Yiping Lu, Chengkun Wang   +4 more
wiley   +1 more source

Exploring Toxicological Mechanisms of Typical PFAS-Induced NAFLD through Integrated Computational Toxicology and AOP Frameworks. [PDF]

Environ Health (Wash)
Li F, Wang J, Liu Y, Sun T, Ji C, Wu H.
europepmc   +1 more source