Results 111 to 120 of about 31,497 (236)

Network pharmacology-based identification of potential drug targets and bioactive compounds in Lycii Fructus (Gouqizi) for the therapeutics of Parkinson’s disease

Frontiers in Pharmacology
IntroductionParkinson’s disease (PD) is a common neurodegenerative disease characterized by the loss of dopaminergic neurons without any curable treatment. Various traditional Chinese medicines have been employed to manage the progression of PD.
Sufana Al Hashmi, Rana Adnan Tahir, Sheikh Arslan Sehgal   +2 more
doaj   +1 more source

GC‐MS Analyses and Bioactivity Evaluation of Origanum minutiflorum Essential Oil: Antioxidant, Antibacterial, Genotoxicity, and Molecular Docking Studies

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
GC–MS analysis reveals the chemical composition of Origanum minutiflorum essential oil, while biological and computational investigations demonstrate its antioxidant, antibacterial, and genotoxic properties. Favorable ADME profiles and molecular interactions of the major terpenoids highlight their potential as natural antibacterial agents and promising
Derya Efe, Ayça Aktaş Karaçelik, Sedat Bozarı, Gözde Yalçın Özkat, Büşra Korkmaz   +4 more
wiley   +1 more source

In Vitro Anti‐Inflammatory Activity of Sour Cherry (Prunus cerasus L.) Seed Oil and Computational Safety Profiling

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
In vitro anti‐inflammatory activity of sour cherry (Prunus cerasus L.) seed oil and computational safety profiling. ABSTRACT This study aimed to evaluate the in vitro anti‐inflammatory activity of sour cherry seed oils, including samples obtained by Soxhlet extraction and maceration, as well as ten commercial samples.
Tuğba Aydin, Tuğba Günbatan, Aysel Berkkan, Onur Kenan Ulutaş, Melike Sucu   +4 more
wiley   +1 more source

In Silico Molecular Docking and ADMET Evaluation of Active Compounds from Acalypha indica L. Against the HER2 Breast Cancer Target

Biology, Medicine & Natural Product Chemistry
Breast cancer is one of the leading causes of cancer-related mortality in women worldwide, and overexpression of human epidermal growth factor receptor 2 (HER2) is associated with aggressive tumor progression, poor prognosis, and treatment resistance ...
Lisa Savitri, Kharisul Ihsan, Elfred Rinaldo Kasimo, Rochmad Krissanjaya   +3 more
doaj   +1 more source

Phytochemical Profiling and Biological Evaluation of Pistacia lentiscus L. grown in Chlef (Algeria): An Integrated In Vitro, In Vivo, and In Silico Study

Chemistry &Biodiversity, Volume 23, Issue 9, September 2026.
The antihypoxic and antioxidant activities of Pistacia lentiscus L. extract are assessed. High total phenolics and flavonoids contents are noted. Various phenolic acids and flavonoids are identified via HPLC‐MS analysis. The extract demonstrates important scavenging and reducing power, enhances mice survival under normobaric hypoxia, and reduces ...
Halima Saiah, Ali Zineddine Boumehira, Wassila Saiah, Salima Boudane, Asma Al‐farajein   +4 more
wiley   +1 more source

Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction

CoRR
Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug discovery is to build quantitative structure-activity relationship (QSAR) models, associating the molecular structure of ...
Alex G. C. de Sá, David B. Ascher
openaire   +2 more sources

Sulfonamide‐Based 2‐Amino‐1,3,4‐Oxadiazole Derivatives as Dual Cholinesterase and Carbonic Anhydrase Inhibitors: Design, Synthesis, Kinetic Characterization, Molecular Modeling, and ADMET Evaluation

Drug Development Research, Volume 87, Issue 6, September 2026.
ABSTRACT In this study, 12 novel sulfonamide derivatives incorporating 2‐amino‐1,3,4‐oxadiazole and 1,3‐benzazol‐2(3H)‐one scaffolds were synthesized and structurally characterized using 1H NMR, 13C NMR, and LC–MS analyses. Their inhibitory activities were evaluated against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), carbonic anhydrase I
Gülnur Arslan Karahan, Başak Gökçe, Muhammed Tilahun Muhammed, Emre Kadir Ayan, Azime Berna Özçelik   +4 more
wiley   +1 more source

Thalamita admete

Published as part of Muñoz, Isabel, García-Raso, J. Enrique, Chillón, Begoña Sánchez & Cuesta, Jose A., 2025, Marine crabs from African waters housed in the Museo Nacional de Ciencias Naturales (MNCN-CSIC): An opportunity for biogeographic and systematic studies. Part I: Heterotremata (Decapoda, Brachyura), pp.
Muñoz, Isabel, García-Raso, J. Enrique, Chillón, Begoña Sánchez, Cuesta, Jose A.   +3 more
openaire   +2 more sources

Advancing ADMET prediction through multiscale fragment-aware pretraining with MSformer-ADMET

Briefings in Bioinformatics
Abstract Absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are critical determinants of the pharmacokinetic and safety profiles of drug candidates. Accurate and early-stage prediction of ADMET characteristics is essential for reducing late-stage attrition rates, lowering development costs, and accelerating ...
Huihui Liu, Bingjie Zhu, Shuyang Nie, Haoran Li, Yugang Lin, Tianyi Ma, Xin Shao, Qian Chen, Minjie Shen, Yanrong Zheng, Xiaohui Fan, Jie Liao   +11 more
openaire   +3 more sources

Phytochemical Profiling and Antibacterial Activity of Moroccan Monofloral Honeys Against Multidrug‐Resistant Uropathogens: In Vitro, ADMET, Molecular Docking, and Molecular Dynamics Approaches

Food Science &Nutrition, Volume 14, Issue 9, September 2026.
Multidrug‐resistant bacteria infections require alternative antimicrobial strategies. This study evaluated the phenolic composition, antibacterial activity, and in silico properties of four Moroccan monofloral honeys. Carob honey showed the greatest phenolic diversity, whereas citrus honey contained the lowest polyphenolic content.
Mourad Chikhaoui, Aziz Galman, Ahmed Chetoui, Oussama Khibech, Mohamed Reda Kachmar, Toufik Bouddine, Mohamed Bouhrim, Fahd A. Nasr, Mohammed Al‐Zharani, Ashraf Ahmed Qurtam, Rachid Lotfi, Houda El Hajjouji   +11 more
wiley   +1 more source