Results 121 to 130 of about 107,002 (300)

Glucuronolactone Promotes Mucin Sulfation to Alleviate Deoxynivalenol‐Induced Intestinal Injury via Microbiota‐Dependent and ‐Independent AHR Activation

Advanced Science, EarlyView.
Glucuronolactone (GLU) as a natural metabolite of glucose, increases Lactobacillus amylovorus abundance and luminal IAA level to activate AHR signaling. In addition, GLU itself can directly elevate AHR signaling activity independently of microbiota and IAA.
Chenbin Cui, Beibei Zhang, Jiaxi Tang, Jing Hou, Yueqin Qiu, Kaiguo Gao, Li Wang, Zongyong Jiang, Xuefen Yang   +8 more
wiley   +1 more source

Data-driven score tuning for ChooseLD: A structure-based drug design algorithm with empirical scoring and evaluation of ligand–protein docking predictability

Biophysics and Physicobiology
Computerized molecular docking methodologies are pivotal in in-silico screening, a crucial facet of modern drug design. ChooseLD, a docking simulation software, combines structure- and ligand-based drug design methods with empirical scoring.
Akihiro Masuda, Daichi Sadato, Mitsuo Iwadate   +2 more
doaj   +1 more source

Integrative network pharmacology, molecular docking, and dynamic simulation analysis of a polyherbal formulation for potential therapeutic impact on prostate cancer

Heliyon
Background: Prostate cancer (PCa) remains a significant health concern globally, prompting a continual search for novel therapeutic strategies. In this study, we employed a comprehensive approach combining network pharmacology, molecular docking and ...
Ansari Vikhar Danish Ahmad, Syed Ayaz Ali, Qazi Yasar, Nikhil S. Sakle, Mohd Mukhtar Khan   +4 more
doaj   +1 more source

Studies on Regioselective Binding Mode of Steroid Molecules in Homology Modeled Cytochrome P450-2C11 [PDF]

, 2009
In this study, we investigated the regioselective binding mode of steroid molecules and structure requirements for steroid molecules for 16[alpha]-hydroxylation by Cytochrome P450-2C11.
Eiichi Akaho, Hamed I. Ali, Hukihisa Fujita, Morio Yamada   +3 more
core   +1 more source

S100A14 in Tumor‐Derived EVs Targets PIAS3 to Reprogram Astrocytes and Induce Immunosuppressive Microenvironment Promoting Brain Metastasis and Germacrone Reversal Effect

Advanced Science, EarlyView.
This study identifies S100A14 in tumor‐derived exosomes as a key driver of brain metastasis. S100A14 targets PIAS3 in astrocytes, activating STAT3 signaling and promoting immunosuppressive MDSCs recruitment via chemokine secretion. Germacrone, a natural compound, binds S100A14 to disrupt this axis, effectively inhibiting brain metastasis with low ...
Qian Feng, Xia Yang, Lin An, Xue‐Yu Wang, Ming‐Rui Wang, Zhuo‐Hong Cai, Cai‐Jun Xie, Li‐Jun Qiao, You‐Bi Shen, Xi‐Min Liang, Rong Zhang, Cai‐Yan Wang, Zhong‐Qiu Liu, Rong‐Rong Zhang   +13 more
wiley   +1 more source

The Trichinella Super‐Pangenome Reveals the Evolution of Encapsulation and Predicted Host–Parasite Protein Interactions

Advanced Science, EarlyView.
ABSTRACT The muscle capsule of Trichinella is a critical structure that impedes immune attacks and drug penetration, yet the molecular mechanisms underlying its formation remain poorly understood. Using a high‐quality super‐pangenome comprising 12 Trichinella species, we compared extensive genomic variations between encapsulating and non‐encapsulating ...
Qingbo Lv, Yi Liu, Ning Xu, Xiao Zhang, Yaming Yang, Chengyao Li, Hanhai Mao, Mingyuan Liu, Xiaolei Liu   +8 more
wiley   +1 more source

Exploring glutathione transferase and Cathepsin L-like proteinase for designing of epitopes-based vaccine against Fasciola hepatica by immunoinformatics and biophysics studies

Frontiers in Immunology
Fasciolosis is a zoonotic infection and is considered a developing deserted tropical illness threatening ruminant productivity and causing financial losses.
Hassan H. Alhassan, Muhammad Ikram Ullah, Abdurahman A. Niazy, Sami I. Alzarea, Omar Awad Alsaidan, Abdulaziz Ibrahim Alzarea, Aseel Awad Alsaidan, Abulaziz A. Alhassan, Muharib Alruwaili, Yasir S. Alruwaili, Yasir S. Alruwaili   +10 more
doaj   +1 more source

Influence of Benincasa hispida Peel Extracts on Antioxidant and Anti-Aging Activities, including Molecular Docking Simulation. [PDF]

Foods, 2023
Phumat P, Chaichit S, Potprommanee S, Preedalikit W, Sainakham M, Poomanee W, Chaiyana W, Kiattisin K.   +7 more
europepmc   +1 more source

18β‐Glycyrrhetinic Acid and a Nano‐Liposomal Formulation Alleviate Depression‐Like Behaviors via the Microglial mTOR‐Autophagy‐NLRP3 Axis

Advanced Science, EarlyView.
Using a novel zebrafish‐based inflammatory screening strategy, we screened and identified 18β‐glycyrrhetinic acid (18β‐GA) as a promising anti‐inflammatory candidate. We uncover a microglial mTOR–autophagy–NLRP3 axis that constitutes the mechanistic core of 18β‐GA–mediated neuroprotection.
Hua Gan, Haitao Yuan, Wenjun Zhu, Xiaokang Xie, Shen Zhou, Wenzhi Hao, Xiaowei Mo, Lian Yang, Xiaojuan Li, Junshan Liu, Lijuan Deng, Jiaxu Chen   +11 more
wiley   +1 more source

Crocin-Phospholipid Complex: Molecular Docking, Molecular Dynamics Simulation, Preparation, Characterization, and Antioxidant Activity

Iranian Journal of Pharmaceutical Research
Background: Crocin is a water-soluble carotenoid compound present in saffron (Crocus sativus L.), known for its wide range of pharmacological activities, including cardioprotective, hepatoprotective, anti-tumorigenic, anti-atherosclerosis, and anti-inflammatory effects.
Yasaman Rezaee, Elham Rezaee, Leila Karami, Maryam Torshabi, Azadeh Haeri   +4 more
openaire   +2 more sources