Results 151 to 160 of about 73,306 (292)

Molecular Mechanism of the IRF1/NFE2L1‐DT/ALKBH5/Cx43 Axis in Radiation‐Induced Injury in Vascular Endothelial Cells Through Pyroptosis

The Kaohsiung Journal of Medical Sciences, EarlyView.
ABSTRACT Radiotherapy effectively eradicates tumor cells but can also trigger pyroptotic damage in vascular endothelial cells. This study investigates the role of interferon regulatory factor 1 (IRF1) in radiation‐induced endothelial injury, aiming to provide mechanistic insights for optimizing radiotherapy.
Chen Li, Jia‐Wen Yang, Yong‐Rui Jia, Jie Zhang, Qiao Gou   +4 more
wiley   +1 more source

Systematic Deciphering of ATBC Nephrotoxicity Mechanisms via Machine Learning and Single‐Cell Analysis

Medicine Bulletin, EarlyView.
This study elucidates the nephrotoxic mechanism of acetyl tributyl citrate (ATBC) by integrating network toxicology, machine learning, and single‑cell multi‑omics analysis to systematically decipher the molecular mechanisms and cell‑type‑specific regulatory networks underlying ATBC‑induced kidney injury. First, a protein‑protein interaction network was
Yimao Wu, Yalun Liang, Jintao Liang, Wenlong Sun, Qian Zhang, Meng‐Yao Li   +5 more
wiley   +1 more source

Bridging science and curriculum: preparing future leaders in computational toxicology. [PDF]

Front Toxicol
Hall F, Johnson C.
europepmc   +1 more source

Design, Synthesis, Cytotoxicity Assessment, and Molecular Docking of Novel Triazolopyrimidines as Potent Cyclin‐Dependent Kinase 4 Inhibitors

ChemistryOpen, EarlyView.
A novel series of 1,5‐dihydro‐[1,2,4]triazolo[4,3‐a]pyrimidines (5a–g) is synthesized and evaluated as potential CDK4 inhibitors. Compounds 5c and 5d exhibit strong cytotoxicity toward HepG2 and MCF‐7 cells with IC50 ≈ 1–2 µM, comparable to doxorubicin.
Tariq Z. Abolibda, Sami A. Al‐Hussain, Basant Farag, Mohamed El‐Naggar, Magdi E. A. Zaki, Emad S. A. Alhazmi, Adel S. M. Almohammadi, Sobhi M. Gomha   +7 more
wiley   +1 more source

Computational Toxicology is Now Inseparable from Experimental Toxicology [PDF]

Alternatives to Laboratory Animals, 2013
openaire   +2 more sources

Exploration of the Phytochemical and Antidiabetic Properties of Teucrium polium: A Natural Asset for Type 2 Diabetes Management

ChemistryOpen, EarlyView.
Teucrium polium shows antidiabetic activity with its phytochemical composition and biological activities. The essential oil is rich in carvacrol, thymol, γ‐terpinene, and o‐cymene, while the aqueous and hydroethanolic extracts are characterized by poliumoside, verbascoside, isorhamnetin‐3‐O‐rutinoside, and apigenin‐7‐rutinoside. Antioxidant activity is
Hajar El Ouadni, Aziz Drioiche, Fadoua El Makhoukhi, Omkulthom Al kamaly, Hannou Zerkani, Smail Amalich, Imane Tagnaout, Mohamed Radi, Yahya Cherrah, Touriya Zair, Katim Alaoui   +10 more
wiley   +1 more source

Abietic Acid Enhances the Sedative Activity of Diazepam: In vivo Approach along with Receptor Binding Affinity and Molecular Interaction with the GABAergic System

ChemistryOpen, EarlyView.
Abietic acid (AA) reveals potent sedative potential by expressing fast sleeping onset and increased sleeping duration compare to the control group in thiopental sodium induced sleeping mice. The compound also exhibited notable binding affinity (–7.9 kcal/mol) toward GABAA receptors.
Meher Afroz, Rubel Hasan, Mst Muslima Khatun, Mokammel Hossain Tito, Md Shadin, Ranjit Chakma, Mohammed Asiri, Faisal H. Altemani, Abdullah H. Altemani, Md Shimul Bhuia, Muhammad Torequl Islam   +10 more
wiley   +1 more source

Computational toxicology in drug discovery: applications of artificial intelligence in ADMET and toxicity prediction. [PDF]

Brief Bioinform
Zhang J, Li H, Zhang Y, Huang J, Ren L, Zhang C, Zou Q, Zhang Y.   +7 more
europepmc   +1 more source

The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency. [PDF]

Toxicol Sci, 2019
Thomas RS, Bahadori T, Buckley TJ, Cowden J, Deisenroth C, Dionisio KL, Frithsen JB, Grulke CM, Gwinn MR, Harrill JA, Higuchi M, Houck KA, Hughes MF, Hunter ES, Isaacs KK, Judson RS, Knudsen TB, Lambert JC, Linnenbrink M, Martin TM, Newton SR, Padilla S, Patlewicz G, Paul-Friedman K, Phillips KA, Richard AM, Sams R, Shafer TJ, Setzer RW, Shah I, Simmons JE, Simmons SO, Singh A, Sobus JR, Strynar M, Swank A, Tornero-Valez R, Ulrich EM, Villeneuve DL, Wambaugh JF, Wetmore BA, Williams AJ.   +41 more
europepmc   +1 more source

Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms

ChemistryOpen, EarlyView.
This study employed density functional theory (DFT) and conceptual DFT (CDFT) to calculate the structures and properties of potential antibacterial compounds derived from 16‐membered lactone ring‐containing secondary metabolites of extremophiles, as well as midecamycin.
Dilong Li, Yanni Wang, Yinhuan Huang, Hui Zhou, Xiaoyun Xia, Wei Huang, Chaojie Wang   +6 more
wiley   +1 more source