Prediction of acute toxicity for Chlorella vulgaris caused by tire wear particle-derived compounds using quantitative structure-activity relationship models

JR Jiang, WX Cai, ZF Chen, XL Liao, Z Cai - Water Research, 2024 - Elsevier
Tire wear particles (TWPs) enter aquatic ecosystems through various pathways, such as
rainwater and urban runoff. Additives in TWPs can harm aquatic organisms in these …

Innovative screening for functional improved aromatic amine derivatives: Toxicokinetics, free radical oxidation pathway and carcinogenic adverse outcome pathway

Y Liu, X Li, Q Pu, R Fu, Z Wang, Y Li, X Li - Journal of Hazardous Materials, 2023 - Elsevier
Aromatic amines, one of the most widely used low-cost antioxidants in rubbers, have been
regarded as pollutants with human health concerns. To overcome this problem, this study …

Identification of a 1, 8-naphthyridine-containing compound endowed with the inhibition of p53-MDM2/X interaction signaling: a computational perspective

OF Olukunle, CB Olowosoke, A Khalid, GA Oke… - Molecular Diversity, 2023 - Springer
Various studies have established that molecules specific for MDMX inhibition or optimized
for dual inhibition of p53-MDM2/MDMX interaction signaling are more suitable for activating …

Screening of compounds from Nigerian antidiabetic plants as protein tyrosine phosphatase 1B inhibitor

F Olawale, K Olofinsan, O Iwaloye… - Computational …, 2022 - Elsevier
Several studies have established the antidiabetic properties of several traditional Nigerian
plants, but only limited studies have elucidated their mechanism of action. Protein tyrosine …

Cooperativity of ESPT and aggregation-induced emission effects—an experimental and theoretical analysis of a 1, 3, 4-thiadiazole derivative

I Budziak-Wieczorek, D Kaczmarczyk, K Rząd… - International Journal of …, 2024 - mdpi.com
4-[5-(Naphthalen-1-ylmethyl)-1, 3, 4-thiadiazol-2-yl] benzene-1, 3-diol (NTBD) was
extensively studied through stationary UV–vis absorption and fluorescence measurements …

Structural effects of sulfonamides on the proliferation dynamics of sulfonamide resistance genes in the sequencing batch reactors and the mechanism

L Wu, M Wang, L Rong, W Wang, L Chen, Q Wu… - Journal of …, 2024 - Elsevier
Antibiotic resistance genes (ARGs) can be easily promoted by antibiotics, however, the
structural effects of antibiotics on the proliferation of ARGs dynamic and the associated …

[HTML][HTML] Integrative study of phytochemicals for anti-fibroid agent: A perspective on protein networks, molecular docking, ADMET, simulation, DFT and bioactivity

CB Olowosoke, CJ Eze, A Munir, OO Dada… - Chemical Physics …, 2024 - Elsevier
Purpose Beyond the pains of pregnancy, miscarriages and other child-bearing risks
associated with the pride of motherhood, Uterine fibroids (UFs) are another significant …

Discovery of putative inhibitors against main drivers of SARS-CoV-2 infection: Insight from quantum mechanical evaluation and molecular modeling

TA Balogun, OS Chukwudozie, UC Ogbodo… - Frontiers in …, 2022 - frontiersin.org
SARS-CoV-2 triggered a worldwide medical crisis, affecting the world's social, emotional,
physical, and economic equilibrium. However, treatment choices and targets for finding a …

Modulating the immunosuppressive tumor microenvironment: Multi-synergistic cancer therapeutic approach with oncolytic viruses

MT Bayode, OJ Babatunde, PO Chukwuemeka… - World Journal of …, 2024 - wjarr.com
Most patients with complex malignancies show a high level of toxicity and limited long-
lasting responses to current conventional therapies. In contrast, the immune system has the …

MiR-450b-5p enhances the radiosensitivity of HR+ and HER2− breast cancer by targeting CDK6

RX Wu, HW Zhang, XY Huang… - Oncology and …, 2024 - journals.lww.com
Background The sensitivity of breast cancer cells to radiation is a key cause of locoregional
recurrence after postoperative radiotherapy. Several studies have reported that microRNAs …