Results 101 to 110 of about 26,392 (248)

Synthesis, Characterization, and Biological Evaluation of Aliphatic‐Substituted Benzimidazole Derivatives: Induction of Apoptosis, Cell Cycle Arrest, and Molecular Docking in Breast Cancer Cells

Drug Development Research, Volume 87, Issue 2, April 2026.
ABSTRACT A new series of aliphatic‐substituted benzimidazole derivatives was synthesized and structurally characterized to evaluate their potential anticancer activity. Among the synthesized compounds, compound 4 exhibited the most potent cytotoxic effects against MCF‐7 and MDA‐MB‐231 breast cancer cell lines, with IC₅₀ values comparable to those of ...
Murat Keser, Çisil Çamlı Pulat, Harika Atmaca, Hakan Akgün, Canan Albay, Emre Menteşe, Hakan Bektaş, Suleyman Ilhan   +7 more
wiley   +1 more source

In silico Exploration of Pharmacological and Molecular Descriptor Properties of Salacinol and Its Related Analogues

Journal of the Turkish Chemical Society, Section A: Chemistry
Salacinol and its related analogues have been known for their potent α-glucosidase inhibitor activity and making them interesting candidates for a new type of anti-diabetic agent.
Yousif Hussein, Idrees Mohammed Ahmed, Yousif Aziz   +2 more
doaj   +1 more source

Difficulties and prospects of data curation for ADME <i>in silico</i> modeling

, 2023
Tsuyoshi Esaki, Kazuyoshi Ikeda
openalex   +2 more sources

Discovery of Capsazepine as a Novel MCL1 Inhibitor for Overcoming Tamoxifen Resistance in Breast Cancer Therapy

eFood, Volume 7, Issue 2, April 2026.
MCL1 in promoting tamoxifen resistance by inhibiting apoptosis. This study demonstrates that the compound CPZ, identified through virtual screening and validated by molecular docking and experiments, directly binds to MCL1. This binding restores apoptosis and inhibits tumor growth, thereby combating resistance to endocrine therapy in breast cancer ...
Shujing Liu, Jiayin Li, Chengkun Wu, Yupeng Xiao, Jing Yu, Yu Xie, Chen Lin, Chunhua Liu, Yue Wang, Junfang Qin   +9 more
wiley   +1 more source

In silico Molecular Docking and ADME/Tox Study on Benzoxazole Derivatives Against Inosine 5’-Monophosphate Dehydrogenase [PDF]

, 2017
Pratibha Teotia, Surya Prakash Dw, Neeraja Dwivedi   +2 more
openalex   +1 more source

In Silico Analysis of Phytochemicals of Native Pakistani Plants Having Antidiabetic Potential Targeting GLP‐1R and SGLT2 Proteins

Food Science &Nutrition, Volume 14, Issue 4, April 2026.
This study examines the potential of phytochemicals from native Pakistani plants to mitigate the effects of diabetes by interacting with GLP‐1R and SGLT2 proteins using bioinformatics methods, thereby highlighting the application of bioinformatics in this context.
Malaika Ajaz, Waleed Rasool, Amna Mahmood, Faiyaz Ahmed, Anjum Khanam, Dua Zahra, Aqsa Jamshaid, Arooj Arshad, Fakhar Islam, Mohd Asif Shah   +9 more
wiley   +1 more source

Non‐redox Lewis Acids Supported Pd‐Catalyzed C—C /C—H Activation and Accession to Produce Pharmaceutical Intermediates

ChemistryOpen, Volume 15, Issue 4, April 2026.
Palladium is a simple and versatile redox‐active metal that plays a crucial role in the oxidation reactions for organic synthesis and production of pharmaceutical intermediates. Notably, there has been significant progress with Lewis acids (LAs), which are non‐redox metal ions promoting Pd(II)‐catalyzed oxidation via C—H and C—C bond activation.
Ahmed M. Senan, Senem Akkoc, A. M. Abdulkarem, Sadeq K. Alhag   +3 more
wiley   +1 more source

Integration of Machine Learning With PBPK and QSAR Modeling Approaches to Facilitate Drug Discovery and Development

CPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 4, April 2026.
ABSTRACT This review examines the application of machine learning (ML) in physiologically based pharmacokinetic (PBPK) modeling through improved prediction of input parameters, particularly via quantitative structure–activity relationship (QSAR) models, for absorption, distribution, metabolism, and excretion (ADME) properties across drug development ...
Xinyue Chen, Zhoumeng Lin
wiley   +1 more source

Natural antiviral flavonoids: Striking successful repurposing against COVID-19 through in-silico docking [PDF]

Journal of Stress Physiology & Biochemistry
Repurpose of recognized compounds and medications as anti-COVID 2019 (anti-CoVID-19) agents, in anti-SARS-CoV-2 operation, via biological re-assessment of their activities, is a recent and durable development for pandemic COVID-19 novel drugs in 2020 ...
Velayutham Gurunathan, Chidambaram Sathishkumar, Hariharan Govindasamy, Karumalaiyan Palanisamy, Periyanayagam Arockia Doss   +4 more
doaj  

Green Construction of Aryl-1,8-Naphthyridine-Thiazole Scaffolds and in Vitro-Antimicrobial Evaluation, Dna-Binding Interactions, Viscosity Measurements, Molecular Modeling Studies, and Adme Properties

, 2023
B. Sonyanaik, Dharavath Ravi, Kamal Kishore, Perugu Shyam, B. Sakram   +4 more
openalex   +1 more source