Results 281 to 290 of about 449,170 (361)

Apoptosis-mediated antiproliferation of A549 lung cancer cells mediated by Eugenia aquea leaf compound 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone and its molecular interaction with caspase receptor in molecular docking simulation. [PDF]

Oncol Lett, 2020
Hadisaputri YE, Cahyana N, Muchtaridi M, Lesmana R, Rusdiana T, Chaerunisa AY, Sufiawati I, Rostinawati T, Subarnas A.   +8 more
europepmc   +1 more source

Molecular Aggregates of Wheat Starch–Protein Systems: Structural Disruption and Engineered Digestibility via Non‐Covalent Synergy

Aggregate, EarlyView.
This study combines molecular dynamics simulations and multi‐scale experiments to decode how wheat proteins (globulin, gliadin, and glutelin) form non‐covalent networks with starch, reducing structural order, and slowing enzymatic hydrolysis. These findings provide a blueprint for tailoring starch‐based foods with controlled glycemic response ...
Cuihong Dai, Dongling Qiao, Bowen Li, Fengwei Xie, Binjia Zhang   +4 more
wiley   +1 more source

AIEgen‐Based and Smartphone‐Assisted On‐Site Quantitation of Cystatin C for Monitoring of Chronic Kidney Disease

Aggregate, EarlyView.
By employing new protein‐templated AIEgen Ir@BSA as the phosphorescence signal indicator and papain as the biomolecular recognition element, a straightforward protocol for Cys C quantitation has been developed. On‐site quantitation of Cys C in clinical serum samples has been successfully demonstrated using a smartphone‐based portable phosphorescence ...
Shuqi Xia, Xue Zhu, Shiqiong Niu, Wanqing Zhang, Jinyi Gong, Zhaofan Luo, Meijin Li, Changqing Yi   +7 more
wiley   +1 more source

Binding interactions of epididymal protease inhibitor and semenogelin-1: a homology modeling, docking and molecular dynamics simulation study

, 2019
Changyu Shan, Hongwei Li, Yuping Zhang, Yuyan Li, Ying‐Chun Chen, Wei He   +5 more
openalex   +1 more source

Applied Artificial Intelligence in Materials Science and Material Design

Advanced Intelligent Systems, EarlyView.
AI‐driven methods are transforming materials science by accelerating material discovery, design, and analysis, leveraging large datasets to enhance predictive modeling and streamline experimental techniques. This review highlights advancements in AI applications across spectroscopy, microscopy, and molecular design, enabling efficient material ...
Emigdio Chávez‐Angel, Martin Børstad Eriksen, Alejandro Castro‐Alvarez, Jose H. Garcia, Marc Botifoll, Oscar Avalos‐Ovando, Jordi Arbiol, Aitor Mugarza   +7 more
wiley   +1 more source

Selective PAR2 Inhibition Attenuates HDM‐Induced Th1/Th2 Responses in Human Epithelial and Murine Models of Allergic Rhinitis and Asthma

International Forum of Allergy &Rhinology, EarlyView.
ABSTRACT Background Allergic rhinitis (AR) and asthma are involved in complex interactions between Th1 and Th2 inflammatory pathways. House dust mite (HDM) activates protease‐activated receptor 2 (PAR2) to trigger inflammatory responses, but current treatments often provide inadequate control.
Miran Kang, Yohan Seo, Ju Hee Seo, Yeonsu Jeong, Hyejin Jeon, Su‐Myeong Jang, Chang‐Hoon Kim, Wan Namkung, Hyung‐Ju Cho   +8 more
wiley   +1 more source

Targeting SARS-CoV-2 nucleocapsid oligomerization: Insights from molecular docking and molecular dynamics simulations

, 2020
Shahzaib Ahamad, Dinesh Gupta, Vijay Kumar   +2 more
openalex   +2 more sources

Yunweiling alleviates functional constipation: integrating network pharmacology and experimental study

Animal Models and Experimental Medicine, EarlyView.
In a study combining network pharmacological analysis and experimental verification, yunweiling has been shown improve functional constipation by inhibiting the PI3K‐Akt‐p53 signaling pathway and reducing the expression of TP53. Abstract Background This study investigated the impacts and mechanisms of yunweiling in the management of Functional ...
Peng Zhang, Wei Li, Weiwen Zheng, Jinwen Liu, Nuonan She, Xia Chen, Weibo Wen   +6 more
wiley   +1 more source

Selective Phosphorylation of Phenols and Benzenediols by the Kinase PsiK and Variants Thereof

Angewandte Chemie, EarlyView.
PsiK from Psilocybe cubensis phosphorylates a diverse set of substituted phenols and benzenediols beyond its native substrate. High‐throughput screening of active site mutant libraries using DESI‐MS enabled protein engineering of PsiK, further expanding its substrate scope.
Ahram Kim, Nicolás M. Morato, Prabir Saha, Pascal N. Eyimegwu, Aqeel A. Niyaz, Rui Huang, R. Graham Cooks, Ryan M. Phelan, Jared C. Lewis   +8 more
wiley   +2 more sources

Kinetic and computational molecular docking simulation study of novel kojic acid derivatives as anti-tyrosinase and antioxidant agents. [PDF]

J Enzyme Inhib Med Chem, 2019
Chen YM, Li C, Zhang WJ, Shi Y, Wen ZJ, Chen QX, Wang Q.   +6 more
europepmc   +1 more source