Results 131 to 140 of about 105,531 (276)

Islet Amyloid Polypeptide Modelled to Simulate Diabetes Co‐Oligomerized with β‐Amyloid 1‐42 Reproducing the Pathological Cascade of Alzheimer's Disease in Human Cerebral Organoids

Advanced Science, EarlyView.
Human islet amyloid polypeptide (hIAPP) was used to mimic T2DM, and Aβ42‐hIAPP co‐oligomers were delivered into the human mature cerebral organoids (COs), which reproduce typical AD pathology and significant neuronal death more closely resembling that of AD patients.
Jin Yan, Zhimeng Tang, Yanyu Luo, Bin Liu, Xinxin Huang, Jun Wei, Feng Yue   +6 more
wiley   +1 more source

Identification of Natural Compounds of the Apple as Inhibitors against Cholinesterase for the Treatment of Alzheimer's Disease: An In Silico Molecular Docking Simulation and ADMET Study. [PDF]

Nutrients, 2023
Jamal QMS, Khan MI, Alharbi AH, Ahmad V, Yadav BS.   +4 more
europepmc   +1 more source

Precise Construction of an Antimicrobial Peptide Targeting Bacterial Cell Membranes Derived From Natural Peptides

Advanced Science, EarlyView.
An AMP (P 3‐3R‐8I) based on natural peptides, which can target bacterial cell membranes, was precisely constructed via amino acid mutation. P 3‐3R‐8I exhibits antibacterial capability which could be attributed to the ability of P 3‐3R‐8I to quickly penetrate bacterial cell membranes and then to bind to bacterial DNA.
Jiaqi Huang, Bohao Liu, Xingzhuo Zhu, Deqian Qiao, Sizhe Chen, Xiaoyan Zeng, Qingqing Yang, Zihuan Wei, Yinjuan Huang, Jizhao Wang, Guangjian Zhang, Qiuyu Gong   +11 more
wiley   +1 more source

Structural Insight into the Working Mechanism of the FAD Synthetase from the Human Pathogen Streptococcus pneumoniae: A Molecular Docking Simulation Study. [PDF]

Int J Mol Sci, 2023
Kwon S.
europepmc   +1 more source

Targeted Extracellular Vesicles Deliver Asiaticoside to Inhibit AURKB/DRP1‐Mediated Mitochondrial Fission and Attenuate Hypertrophic Scar Formation

Advanced Science, EarlyView.
Hypertrophic scar formation is driven by excessive mitochondrial fission in wound macrophages, which we discover is governed by a novel AURKB‐DRP1(Ser616) axis. The study develops a targeted therapy using cRGD‐decorated extracellular vesicles to deliver the natural compound Asiaticoside specifically to macrophages.
Luyu Li, Chenli Si, Xue Wang, Xiaojin Wu, Ying Shang, Shengfang Ge, Yong Wang, Yong Zuo, Zhen Zhang   +8 more
wiley   +1 more source

Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors. [PDF]

PLoS One, 2022
Owoloye AJ, Ligali FC, Enejoh OA, Musa AZ, Aina O, Idowu ET, Oyebola KM.   +6 more
europepmc   +1 more source

Simulating molecular docking with haptics

, 2015
Intermolecular binding underlies various metabolic and regulatory processes of the cell, and the therapeutic and pharmacological properties of drugs. Molecular docking systems model and simulate these interactions in silico and allow the study of the binding process.
openaire   +1 more source

Targeting PRKCN, an Essential Driver Orchestrating mTOR‐IRF4 Axis Independently of Kinase Activity, in Multiple Myeloma

Advanced Science, EarlyView.
Constitutive PRKCN expression is driven by super‐enhancers and modulated by NF‐κB signaling in multiple myeloma (MM). PRKCN activates mTORC1/2‐IRF4 signaling axis and favors tumor cell growth independently of its kinase activity. IRF4 reciprocally promotes PRKCN transcription, creating a feed‐forward loop.
Koukou Tang, Dongpeng Jiang, Peng Ke, Xiaosen Bian, Lili Zhang, Ying Zhang, Tingting Zhu, Weiwei Qu, Wenhui Qi, Yang Xu, Chengcheng Fu, Depei Wu, Jianhong Chu   +12 more
wiley   +1 more source

Corrigendum to "Tanshinone-I for the treatment of uterine fibroids: Molecular docking, simulation, and density functional theory investigations" [Saudi Pharm. J. 31(6) (2023) 1061-1067]. [PDF]

Saudi Pharm J, 2023
Tiwari A, Tiwari V, Sharma A, Singh D, Singh Rawat M, Virmani T, Virmani R, Kumar G, Kumar M, Alhalmi A, Noman OM, Mothana RA, Alali M.   +12 more
europepmc   +1 more source

PAF Triggered Pyroptotic NETosis Aggravates Myocardial Ischemia/Reperfusion Injury

Advanced Science, EarlyView.
Platelet activating factor (PAF) secreted by cardiomyocytes during MI/R, drives NETs formation and subsequent NETosis. PAF/NETosis signaling activation is an initiative and causal factor in driving MI/R injury. This study identifies dapagliflozin as a potent NETosis inhibitor, and demonstrates that manipulating PAF‐NETosis signal by dapagliflozin or ...
Jiawei Wu, Shule Zhang, Ruofan Du, Lina Kang, Guodong Zhao, Xue Bao, Haochi Yang, Ziqing Xie, Tianyu He, Huiyong Sun, Haiping Hao, Lijuan Cao   +11 more
wiley   +1 more source