Results 141 to 150 of about 105,531 (276)

New Organotin (IV) Compounds Derived from Dehydroacetic Acid and Thiosemicarbazides: Synthesis, Rational Design, Cytotoxic Evaluation, and Molecular Docking Simulation. [PDF]

Bioinorg Chem Appl, 2023
Gómez E, Galván-Hidalgo JM, Pérez-Cuéllar G, Huerta-Landa KA, González-Hernández A, Gómez-García O, Andrade-Pavón D, Ramírez-Apan T, Rodríguez Hernández KD, Hernández S, Cano-Sánchez P, Gómez-Velasco H.   +11 more
europepmc   +1 more source

Engineering MnPt Bimetallic Nanozymes for Cascade Enzymatic Therapy and Enhanced Radio‐Immunotherapy

Advanced Science, EarlyView.
A CD44‐targeted MnPt bimetallic nanozyme (HD@MnO2) integrates multienzyme‐like activity with cGAS–STING activation to boost radio‐immunotherapy. Through cascade biocatalysis, it depletes glutathione, relieves hypoxia, and amplifies ROS, enhancing radiotherapy‐induced DNA damage and immunogenic cell death. The nanozyme promotes dendritic cell maturation
Wenyi Zhang, Yangyang Guo, Guoping Xu, Luhaoxiang Liu, Lin Chen, Cai Zhang, Yiming Li, Jianmin Li, Yang Zhao   +8 more
wiley   +1 more source

Decoding the therapeutic mechanism of Conocarpus lancifolius in hepatocellular carcinoma: network pharmacology, molecular docking, and LC-MS QTOF insights

Frontiers in Pharmacology
Hepatocellular carcinoma is a multifaceted and lethal malignancy, ranking third in cancer-related mortality and sixth in worldwide incidence. This study aimed to utilize LCMS-QTOF analysis to identify the phytoconstituents of C.
Poojaben M. Prajapati, Saumya K. Patel, Rakesh M. Rawal, Komal G. Lakhani, Komal G. Lakhani, Rasmieh Hamid, Bharat B. Maitreya   +6 more
doaj   +1 more source

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

Metal Chelates of Sulfafurazole Azo Dye Derivative: Synthesis, Structure Affirmation, Antimicrobial, Antitumor, DNA Binding, and Molecular Docking Simulation. [PDF]

Bioinorg Chem Appl, 2023
El-Ghamry HA, Al-Ziyadi RO, Alkhatib FM, Takroni KM, Khedr AM.   +4 more
europepmc   +1 more source

Interaction of β-Lactoglobulin with Resveratrol : Molecular Docking and Molecular Dynamics Simulation Studies

Chemical and Biochemical Engineering Quarterly, 2013
In this work, the interaction of trans-resveratrol, as a natural polyphenolic compound, and Bovine β-lactoglobulin (BLG), was studied using molecular docking and molecular dynamics simulation methods. The molecular dynamics study makes an importantcontribution to understanding the effect of the binding of resveratrol on conformational changes of BLG ...
Sahihi, Mehdi, Yousef, Ghayeb, Bordbar, Abdol-Khalegh   +2 more
openaire   +2 more sources

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

Homology modeling and molecular docking simulation of martentoxin as a specific inhibitor of the BK channel. [PDF]

Ann Transl Med, 2022
Yang C, Yang Z, Tong K, Wang J, Yang W, Yu R, Jiang F, Ji Y.   +7 more
europepmc   +1 more source

Diabetes Mellitus Facilitates Gallstone Formation Through CXCR2‐NETs–Mediated Liver‐Bile Barrier Damage

Advanced Science, EarlyView.
Diabetes is an independent risk factor for gallstones. It upregulates CXCR2 expression in hepatic neutrophils, stimulating the formation of NETs that disrupt hepatocellular tight junctions and the liver‐bile barrier. NETs enter bile to accelerate gallstone development, while sarcosine inhibits CXCR2 and NETs production, effectively reducing diabetes ...
Chao Shi, Shuo Feng, Tianming Liu, Ziang Meng, Yi Zheng, Zhenghao Huang, Tong Wang, Bojian Zhang, Dongbo Xue, Biao Ma, Xianzhi Meng   +10 more
wiley   +1 more source

Exploring the potential of phytoconstituents from Phaseolus vulgaris L against C-X-C motif chemokine receptor 4 (CXCR4): a bioinformatic and molecular dynamic simulations approach

Egyptian Journal of Medical Human Genetics
Introduction The CXCR4 chemokine receptor is a G protein-coupled receptor that plays a role in many physiological processes and diseases, such as cancer metastasis, HIV infection, and immune response.
Cesarius Singgih Wahono, Mokhamad Fahmi Rizki Syaban, Mirza Zaka Pratama, Perdana Aditya Rahman, Nabila Erina Erwan   +4 more
doaj   +1 more source