Results 241 to 250 of about 109,425 (326)

Interaction Behavior of Novel Chitosan-Pectin Complex of Ciclopiroxwith Human Galectin-3: Molecular Docking, Molecular Dynamic Simulation, In Silico Pharmacokinetics Studies [PDF]

openalex   +1 more source

Multi‐View Biomedical Foundation Models for Molecule‐Target and Property Prediction

Advanced Science, EarlyView.
Molecular foundation models can provide accurate predictions for a large set of downstream tasks. We develop MMELON, an approach that integrates pre‐trained graph, image, and text foundation models and validate our multi‐view model on over 120 tasks, including GPCR binding.
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi, Diwakar Mahajan, Hongyang Li, Yuxin Yang, Elif Eyigoz, Aldo Guzmán‐Sáenz, Daniel E. Platt, Timothy H. Rumbell, Kenney Ng, Sanjoy Dey, Myson Burch, Bum Chul Kwon, Pablo Meyer, Feixiong Cheng, Jianying Hu, Joseph A. Morrone   +17 more
wiley   +1 more source

Macrophagic Sclerostin Loop2‐ApoER2 Interaction Required by Sclerostin for Cardiovascular Protective Action

Advanced Science, EarlyView.
Sclerostin loop2‐ApoER2 interaction in macrophages is required by sclerostin to suppress NF‐κB nuclear translocation and phosphorylation, to promote macrophage conversion into anti‐inflammatory subtypes in atherosclerotic aortas, as well as to prevent atherosclerosis and aortic aneurysm development in ApoE−/− mice. Abstract Therapeutic antibody against
Luyao Wang, Xiaohui Tao, Ning Zhang, Xin Yang, Hewen Jiang, Xiaofei Li, Shenghang Wang, Shijian Ding, Sifan Yu, Huarui Zhang, Yihao Zhang, Nanxi Li, Haitian Li, Zhanghao Li, Xiaoxin Wen, Meiheng Sun, Chuanxin Zhong, Jin Liu, Yuanyuan Yu, Xianghang Luo, Tao Zhang, Shu Zhang, Péter Ferdinandy, Yu Huang, Daqing Ma, Aiping Lu, Baoting Zhang, Ge Zhang   +27 more
wiley   +1 more source

Anti-enzymatic and DNA docking studies of montelukast: A multifaceted molecular scaffold with in vitro investigations, molecular expression analysis and molecular dynamics simulations

Shawana Abdullah, Ambar Iqbal, Avinash Karkada Ashok, Farah Chafika Kaouche, Misbah Aslam, Saddam Hussain, Jameel Rahman, Muhammad Munawar Hayat, Muhammad Ashraf   +8 more
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A DNA Tetrahedron Delivery Asiatic Acid to Reprogram Mitochondrial Metabolism for Promoting Bone Regeneration via STAT3 Phosphorylation

Advanced Science, EarlyView.
A hyaluronic acid methacrylate (HAMA) hydrogel incorporating DNA tetrahedrons loaded with Asiatic acid (TDN@AA) was developed. HM‐TDN@AA promotes angiogenesis of endothelial cells (ECs), inhibits osteoclastogenesis from bone marrow–derived macrophages (BMDMs), and enhances osteogenesis of mesenchymal stem cells (MSCs) via STAT3‐mediated mitochondrial ...
Yiwen Huang, Yiming Zhang, Yisheng Feng, Qixiang Yang, Beiyuan Gao, Haiyang Xu, Cheng Huang, Kaili Lin, Yuanzhi Xu, Peiqi Zhu   +9 more
wiley   +1 more source

A density functional theory study on silver and bis-silver complexes with lighter tetrylene: are silver and bis-silver carbenes candidates for SARS-CoV-2 inhibition? Insight from molecular docking simulation. [PDF]

RSC Adv, 2020
Bui TQ, Phuong Loan HT, Ai My TT, Quang DT, Phuong Thuy BT, Nhan VD, Quy PT, Van Tat P, Dao DQ, Trung NT, Huynh LK, Ai Nhung NT.   +11 more
europepmc   +1 more source

Identification of a novel and high affinity MIF inhibitor via structure-based pharmacophore modelling, molecular docking, molecular dynamics simulations, and biological evaluation

Shang Zhu, Shudan Yang, Yao Chen, Miaomiao Niu, Jun Wang, Jindong Li, Xuehua Pu   +6 more
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Synergistic Tuning of Conformational Dynamics, Electron Tunneling, and Substrate Positioning Enhances Electron Transfer in a P450 Chimera for Calcifediol Biosynthesis

Advanced Science, EarlyView.
A synergistic electron transfer (ET) optimization strategy modulating conformational dynamics, ET pathway, and substrate orientation is proposed for self‐sufficient cytochrome P450s. Guided by this strategy, a P450 variant with improved ET and catalytic efficiency was identified, and the underlying molecular basis was revealed by computational analysis.
Ziqi Liang, Xitong Song, Shuming Cheng, Yiwen Shen, Jie Zhang, Yaru Wang, Huiying Luo, Bin Yao, Binju Wang, Tao Tu   +9 more
wiley   +1 more source

Direct Extracellular Matrix Modulation Attenuates Intestinal Fibrosis via a Fibronectin‐Targeted Approach

Advanced Science, EarlyView.
Fibronectin regulates the extracellular matrix (ECM)–myofibroblast cycle through three key steps: (1) its secretion and assembly by myofibroblasts (inhibited by pUR4); (2) collagen deposition along its scaffold (inhibited by R1R2); and (3) integrin α5β1‐mediated mechanotransduction (inhibited by ATN161).
Wenlong Ma, Siyu Yang, Tengkai Wang, Di Zhang, Hewei Wu, Shichen Fu, Xiaohan Wan, Lixiang Li, Xiuli Zuo, Yanqing Li, Jiaoyang Lu   +10 more
wiley   +1 more source