Results 111 to 120 of about 105,531 (276)

PM10 Impairs CD56dim NK Cell Cytotoxicity via FNBP1 Suppression to Exacerbate Rheumatoid Arthritis: Insights from Multimodal Multi‐Omics

Advanced Science, EarlyView.
This study, through multi‐omics approaches and animal models, revealed that air pollutant PM10 exacerbates the progression of rheumatoid arthritis (RA) by suppressing FNBP1 expression and impairing the cytotoxic function of CD56dim NK cells. The “PM10–FNBP1–NK cells” axis provided novel insights into the environmental pathogenesis of RA and suggested ...
Runhan Zhao, Qinyang Zhang, Yu Jiang, Dagang Tang, Xiao Qu, Jun Zhang, Yi Chen, Weixia Duan, Tao Li, Zhengwei Cai, Yanran Huang, Xiaoji Luo   +11 more
wiley   +1 more source

Molecular insights into the inhibition of angiotensin-converting enzyme 1 by hemopressin peptides

Scientific Reports
Inhibiting angiotensin-converting enzyme 1 (ACE1) is a key strategy for managing hypertension as it prevents the formation of angiotensin II, a potent vasoconstrictor. Given the adverse effects associated with synthetic inhibitors, there is an increasing
Priya Antony, Bincy Baby, Aaesha Rahma, Shamaa Abdul Samad, Yusra Al Dhaheri, Ranjit Vijayan   +5 more
doaj   +1 more source

Identification of potential dipeptidyl peptidase IV inhibitors from the ConMedNP library by virtual screening, and molecular dynamics methods

Heliyon
In this study, we screened novel dipeptidyl peptidase IV (DPP4) inhibitors from the ConMedNP library consisting of 3507 molecules. Interestingly, molecular docking, ADMET, and the anti-diabetic activity predictions suggest that three molecules, namely ...
Hans Merlin Tsahnang Fofack, Maraf Mbah Bake, Simon Petry, Baruch A. Ateba, Pascal Amoa Onguéné, Haydar Mohammad-Salim, Fidele Ntie-Kang, Luc Meva'a Mbaze, Serhii Vakal, Cyril A Kenfack   +9 more
doaj   +1 more source

Fibroblast Activation Protein Promotes Thoracic Aortic Dissection via PLAUR/ITGB1‐Mediated Pro‐inflammatory Macrophage Polarization

Advanced Science, EarlyView.
This study reveals that FAP promotes thoracic aortic dissection (TAD) through a nonenzymatic mechanism involving fibroblast‐macrophage crosstalk via the FAP/PLAUR/ITGB1/FAK axis. Targeting this pathway might offer a promising therapeutic strategy for TAD.
Hongqiao Zhu, Jianlie Wu, Ziyi Xu, Yifei Pei, Zaiping Jing, Jian Zhou, Rui Feng, Junjun Liu   +7 more
wiley   +1 more source

Irgm1 Improves Postinfarction Cardiac Repair by Promoting Neutrophil Clearance and Efferocytosis

Advanced Science, EarlyView.
The Irgm1‐PDIA3 axis enhances post‐infarction cardiac repair by accelerating neutrophil clearance and facilitating efferocytosis. Irgm1 holds potential as a prognostic biomarker in MI, and LOC14 may represent a therapeutic option to improve cardiac repair, especially in cases of Irgm1 deficiency.
Zeng Wang, Lai Wei, Mingyang Wang, Shanjie Wang, Lili Xiu, Jiaxiang Sun, Rongzhe Lu, Yige Liu, Jiaxin Wang, Fengyi Liu, Weike Liu, Bo Yu, Yong Sun, Xueqin Gao, Shaohong Fang   +14 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

1,2,6-thiadiazinones as novel narrow spectrum calcium/calmodulin-dependent protein kinase kinase 2 (CaMKK2) inhibitors [PDF]

, 1983
We demonstrate for the first time that 4H-1,2,6-thiadiazin-4-one (TDZ) can function as a chemotype for the design of ATP-competitive kinase inhibitors. Using insights from a co-crystal structure of a 3,5-bis(arylamino)-4H-1,2,6-thiadiazin-4-one bound to ...
Asquith, Christopher R.M., Godoi, Paulo H., Counago, Rafael M., Laitinen, Tuomo, Scott, John W., Langendorf, Christopher G., Oakhill, Jonathan S., Drewry, David H., Zuercher, William J., Koutentis, Panayiotis A., Willson, Timothy M., Kalogirou, Andreas S.   +11 more
core   +3 more sources

Molecular Docking and Molecular Dynamics Simulations of Molnupiravir Against Covid-19

Muş Alparslan Üniversitesi Fen Bilimleri Dergisi
The most stable conformation of molnupiravir (C13H19N3O7), which is frequently used in the COVID-19 treatment, was elucidated by the Spartan06 program. Using the CAVER program, the potential active binding sites that belong to the spike glycoprotein, ACE2 receptor, and both the apo and holo forms of the main protease enzyme(Mpro) of COVID-19 were ...
Tugce Sinem Oktemer, Zeynep Önem, Sefa Çelik, Ayşen Özel, Sevim Akyüz   +4 more
openaire   +1 more source

Amodiaquine Enhances Anti‐Melanoma Efficacy of Attenuated Salmonella via Targeting Glutathione Reductase in Neutrophils

Advanced Science, EarlyView.
This study shows that Salmonella VNP20009 recruits pro‐tumor neutrophils that reduce its anticancer efficacy. Combining VNP with amodiaquine selectively eliminates these neutrophils by targeting glutathione reductase. A GR‐shRNA‐loaded VNP strain was further developed, demonstrating an innovative strategy integrating drug repurposing with synthetic ...
Wanfa Dong, Chunyuan Zhao, Chengxi Li, Lin Weng, Zehan Ji, Peiqi Li, Jiqiang Lu, Danni Liu, Anni Yu, Tianyi Jiang, Shaokai Huang, Heng Liu, Xiao Chen, Zichun Hua   +13 more
wiley   +1 more source