Results 101 to 110 of about 11,582 (221)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, Volume 13, Issue 44, 7 August 2026.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Quantum Phenomena in Molecular and Biological Systems: A Decoherence‐Based Decision Framework With Falsifiable Predictions and a Failure‐Mode Taxonomy

Advanced Physics Research, Volume 5, Issue 8, August 2026.
A physics‐grounded framework based on decoherence timescales (τ_dec vs τ_func), Markovian validity, and falsifiability criteria is applied across molecular systems to distinguish where quantum effects are necessary, marginal, or irrelevant. The analysis integrates quantum chemistry, biological quantum mechanisms, and quantum computing under a unified ...
Sarfaraz K. Niazi
wiley   +1 more source

Phytochemical Composition, In Vitro Antioxidant, Antibacterial, and Antibiofilm Activities of Thymus vulgaris Essential Oil From Tiaret, Algeria

Chemistry &Biodiversity, Volume 23, Issue 8, August 2026.
Thymus vulgaris essential oil (TvEO), largely composed of thymol, showed strong bactericidal activity with Staphylococcus aureus (S. aureus) being most sensitive. TvEO markedly inhibited MRSA biofilm formation and significantly reduced established biofilms. Molecular docking suggests several TvEO components interact with proteins involved in S.
Soumia Dakhouche, Mouna Mnif, Sami Mnif
wiley   +1 more source

Chemical Diversity and Chemotypic Variation of Mentha spicata Essential Oils from Different Regions of Iran

European Pharmaceutical Journal
This study investigated the chemical diversity of essential oils (EOs) extracted from eight Mentha spicata samples collected across different regions of Iran.
Hemati Golsa, Kurin Elena, Mučaji Pavel, Ťažký Anton, Hajská Marianna, Fialová Silvia Bittner   +5 more
doaj   +1 more source

Pharmacological effects, classification, genetic and molecular studies of different chemotypes essential oil of Perilla frutescens (L.) Britt.: A review

Journal of Pharmaceutical Analysis
Perilla frutescens (L.) Britton is a highly valuable medicinal plant known for a wide variety of chemotypes based on the components of its essential oils. The appropriate and secure medicinal use of P. frutescens has been severely limited due to the lack
Wei Wei, Zhaoyuan Li, Bin Wang, Yang Liu, Yuxuan Sun, Dong Wen, Mei Rong, Pengcheng Huang, Yuwei Guo, Qiuling Wang, Zhihui Gao, Jianhe Wei   +11 more
doaj   +1 more source

Integrative multi‐omics analysis prioritizes DPEP1 as a genetically supported candidate associated with skin cancer risk

Clinical and Translational Discovery, Volume 6, Issue 4, August 2026.
Flowchart of the study design outlining target identification, validation, and subsequent functional and translational characterization. Abstract Background Skin cancer (SC) is among the most prevalent malignancies, yet causal circulating proteins and tractable therapeutic targets remain poorly defined.
Fan Shen, Yongkai Yu, Zongfeng Liao, Liye Mao, Qianyun Wang, Wanju Wang, Yuanhui Liu, Ling Li   +7 more
wiley   +1 more source

Selenium‐Containing 1,4‐Naphthoquinone Derivatives Trigger Reactive Oxygen Species and Apoptosis in Triple‐Negative Breast Cancer Cells

Drug Development Research, Volume 87, Issue 5, August 2026.
ABSTRACT Cancer ranks as a leading cause of death worldwide, demanding new affordable therapies. Nature offers a diverse array of bioactive scaffolds, including 1,4‐naphthoquinone, which serves as a precursor for numerous natural and synthetic compounds with potent antitumor properties.
Eduardo Angulo‐Elizari, Asif Raza, Hannah Johnson, Nuria Martínez‐Sáez, Ignacio Encío, Arun K. Sharma, Carmen Sanmartín, Daniel Plano   +7 more
wiley   +1 more source

Integrated Evaluation of the Multifunctional Bioactivity of Curcuma zedoaria (Christm.) Roscoe Essential Oil: Antimicrobial, Insecticidal, and Postharvest Effects on Fresh Ginger

eFood, Volume 7, Issue 4, August 2026.
Multifunctional bioactivity of Curcuma zedoaria essential oil. ABSTRACT Plant‐derived essential oils are increasingly investigated as sustainable alternatives for food preservation and crop protection; however, their multifunctional applicability under postharvest conditions remains insufficiently explored.
Miroslava Kačániová, Minhang Qiao, Joel Horacio Elizondo‐Luevano, Zhaojun Ban, Li Li, Yizhou Gao, Anis Ben Hsouna, Rania Ben Saad, Maciej Ireneusz Kluz, Stefania Garzoli   +9 more
wiley   +1 more source

Antimicrobial Activity of Diverse Chemotypes of Lippia graveolens Against Aeromonas hydrophila Isolated from Oreochromis niloticus

Uniciencia
[Objective] This study aimed to evaluate the antimicrobial efficacy of essential oil (EO) from diverse chemotypes of Lippia graveolens against oxytetracycline-resistant Aeromonas hydrophila, which primarily affects the tilapia aquaculture (O.
Josué García-Pérez, Juan Pérez-Sabino, Susana Mendoza-Elvira, Antonio Jorge Ribeiro da Silva, Juan Ulloa-Rojas   +4 more
doaj   +1 more source

Metabolite Variations in Lepidium sativum Seeds Among Different Germplasms: Unraveling the Link Between Environment and Chemical Compounds

Food Science &Nutrition, Volume 14, Issue 8, August 2026.
Comparative phytochemical analysis of Lepidium sativum seed populations revealed environmentally driven variation in essential oil composition, while fatty acid profiles remained largely stable across populations. Benzyl nitrile was the dominant essential oil constituent, α‐linolenic acid was the major fatty acid, and all populations exhibited weak ...
Seyed Mehdi Talebi, Majid Mahdieh, Ghassan Mohammad, Mansour Ghorbanpour   +3 more
wiley   +1 more source