Results 171 to 180 of about 105,531 (276)

Molecular docking simulation reveals ACE2 polymorphisms that may increase the affinity of ACE2 with the SARS-CoV-2 Spike protein. [PDF]

Biochimie, 2021
Calcagnile M, Forgez P, Iannelli A, Bucci C, Alifano M, Alifano P.   +5 more
europepmc   +1 more source

A Scalable Framework for Comprehensive Typing of Polymorphic Immune Genes from Long‐Read Data

Advanced Science, EarlyView.
SpecImmune introduces a unified computational framework optimized for long‐read sequencing to resolve over 400 highly polymorphic immune genes. This scalable approach achieves high‐resolution typing, enabling the discovery of cross‐family co‐evolutionary networks and population‐specific diversity.
Shuai Wang, Xuedong Wang, Mengyao Wang, Qian Zhou, Lusheng Wang, Shuai Cheng Li   +5 more
wiley   +1 more source

Cascade Therapy of Periodontitis via Sequential Release of Ribosome‐Targeting Antimicrobial Peptide and Irisin From a Multifunctional MOF‐Based System

Advanced Science, EarlyView.
This study presents a novel strategy for periodontitis treatment by co‐delivering a membrane‐ and ribosome‐targeting antimicrobial peptide GF and Irisin through a pH‐responsive metal‐organic framework. The system enables sequential release, providing rapid antibacterial action, anti‐inflammatory and antioxidative effects, as well as promoting bone ...
Yan Chen, Zheng Xu, Yunmo Xue, Shanshan Liu, Xiang Zhang, Jingyao Guo, Minhui Yao, Yue Liu, Xiaolin Lu, Jieshu Qian, Qian Ma   +10 more
wiley   +1 more source

Homology modeling and molecular docking simulation of some novel imidazo[1,2-a]pyridine-3-carboxamide (IPA) series as inhibitors of Mycobacterium tuberculosis. [PDF]

J Genet Eng Biotechnol, 2021
Abdullahi M, Adeniji SE, Arthur DE, Haruna A.   +3 more
europepmc   +1 more source

Exploring novel of 1,2,4-triazolo[4,3-a]quinoxaline sulfonamide regioisomers as anti-diabetic and anti-Alzheimer agents with in-silico molecular docking simulation. [PDF]

Sci Rep
Abusaif MS, Sh El-Sharief AM, Mohamed YA, Ammar YA, Ismail MA, Aboulthana WM, El-Gaby MSA, Ragab A.   +7 more
europepmc   +1 more source

Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles. [PDF]

Spectrochim Acta A Mol Biomol Spectrosc, 2021
El Sayed DS, Abdelrehim EM.
europepmc   +1 more source

Loss of VMP1 Impairs Tight Junction Recycling and Aggravates Intestinal Barrier Dysfunction in Inflammatory Bowel Disease

Advanced Science, EarlyView.
This study identifies vacuole membrane protein 1 (VMP1) as a critical regulator of intestinal epithelial barrier homeostasis. VMP1 facilitates the recruitment of CORO1C to late endosomes, supporting Retromer‐mediated recycling of the tight junction protein Occludin.
Jiawei Zhao, Jianjun Zou, Chen Zhou, Yingui Wang, Yiman Liu, Yanqing Zhou, Yuxiang Wang, Xinyu Zhang, Huishu Yang, Hongjie Yin, Dongsheng Bai, Yue Zhao, Na Lu   +12 more
wiley   +1 more source

Combatting biofilm formation of Klebsiella pneumoniae and Bacillus subtilis clinical strains from the oral cavity using biogenic Se-NPs: molecular docking simulation and cytotoxic effects on HepG2 cancer cells. [PDF]

BMC Microbiol
Yousef A, Abu-Elghait M, Rizk MS, Abdel-Hamid MS, Salem SS, El-Sherbiny GM.   +5 more
europepmc   +1 more source

Molecular Docking Simulation to Predict Inhibitors Against Zinc Transporters

Zinc is one of the essential elements required by our body for normal functioning. This zinc concentration inside the cell is maintained by a particular type of protein called zinc transporter (ZnT). These transporters actively transport zinc ions outside the cells and playplay an important role in diabetes.
Irene Batta, Gaurav Sharma
openaire   +1 more source

Artesunate Ameliorates APAP‐induced Liver Injury by Promoting NEDD4L‐Mediated Ubiquitination and Degradation of TXNIP

Advanced Science, EarlyView.
ABSTRACT Liver injury can lead to severe acute liver failure and even death in patients. Artesunate (ART), which is a derivative of artemisinin that has been approved by the FDA for the treatment of malaria, has significant regulatory effects on cell death and inflammation.
Zhe Zhang, Hongyi Zhang, Haixiang Guo, Xiwen Zhang, Yidan Wang, Baoyin Wang, Tong Wang, Guokun Zhao, Qing Zhang, Fei Gao, Shuang Liang, Hao Jiang, Yu Ding, Xiliang Du, Jiabao Zhang, Yi Zheng, Xinwei Li, Bao Yuan   +17 more
wiley   +1 more source