Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders

MW Iqbal, M Shahab, Z Ullah, G Zheng, I Anjum… - Scientific Reports, 2025 - nature.com
Tyrosine-protein kinase Src plays a key role in cell proliferation and growth under favorable
conditions, but its overexpression and genetic mutations can lead to the progression of …

[HTML][HTML] MonoTip C18 pipette tip solid-phase extraction coupled with liquid chromatography-tandem mass spectrometry enables rapid and automated therapeutic drug …

Q Wang, Y Liu, Y Zheng, D Chen, Y **e… - Arabian Journal of …, 2024 - Elsevier
This work presents an advanced automated monolithic C18 pipette-tip solid-phase
extraction (PT-SPE) method seamlessly integrated with liquid chromatography-tandem mass …

Comparative phytochemical and biological assessment of Punica granatum (pomegranate) peel extracts at different growth stages in the Taif region, Saudi Arabia

A Hussain, F Albasha, NA Siddiqui… - Natural Product …, 2024 - Taylor & Francis
The medicinal and commercial value of pomegranate peel is attributed to its rich content of
phenolic compounds, yet little is known about their concentrations and biological activity …

Molecular hybrids based on 1, 2, 3-triazole and 1, 3, 4-thiadiazole cores: Synthesis, characterization, anticancer activity and in silico study

A Oubella, A Bimoussa, MT Rehman, MF AlAjmi… - Journal of Molecular …, 2024 - Elsevier
Abstract One sets of 1, 3, 4-thiadiazole analogs 14a-c and 15a-c were synthesized by the
incorporation of two heterocyclic nuclei (1, 2, 3-triazole & 1, 3, 4-thiadiazoles) in objective of …

2-isopropyl-4-methoxy-5-methylphenol-hydrazone derivatives: Synthesis, characterization, and in-silico assessment of EGFR and Bcl2 inhibitory activity

Y Laamari, AN Ousidi, A Bimoussa, MT Rehman… - Journal of Molecular …, 2025 - Elsevier
The exploration of hydrazones, characterized by the-N (H) N= CH group, in combination with
thymol, has garnered significant attention in pharmacology due to their versatility and ease …

In-silico design of novel potential HDAC inhibitors from indazole derivatives targeting breast cancer through QSAR, molecular docking and pharmacokinetics studies

S Pandiyan, L Wang - Computational Biology and Chemistry, 2024 - Elsevier
Latest studies confirmed that abnormal function of histone deacetylase (HDAC) plays a
pivotal role in formation of tumors and is a potential therapeutic target for treating breast …