Results 191 to 200 of about 6,028,998 (307)

Identification of Molecular Mechanisms of Ameloblastoma and Drug Repositioning by Integration of Bioinformatics Analysis and Molecular Docking Simulation. [PDF]

Bioinform Biol Insights
Chujan S, Vajeethaveesin N, Satayavivad J, Kitkumthorn N.   +3 more
europepmc   +1 more source

CDK4/MERCs/PINK1 Axis Drives PFOA/HFPO‐TA‐Induced Cardiac Senescence via Mitophagy Defect and cGAS‐STING Activation: In Vitro Amelioration by Cycloastragenol

Advanced Science, EarlyView.
The present study demonstrated that PFOA and HFPO‐TA exposure suppressed CDK4, disrupted MERCs and impaired PINK1/Parkin‐mediated mitophagy, thereby accelerating cardiac senescence, whereas CAG effectively reversed these pathological changes in vitro. Our findings identify CDK4 as a critical regulator bridging mitophagy defects and cardiac senescence ...
Nuo‐Wa Li, Jun‐Ze Jiang, Ying‐Ying Liu, Tian‐Tian Zhang, Kanwar Kumar Malhi, Xin Yao, Jin‐Long Li   +6 more
wiley   +1 more source

In silico binding role of flavonoids as SARS-CoV-2 main protease (M^pro) inhibitors: A dataset of molecular docking simulation-based high-throughput virtual screening (HTVS). [PDF]

Data Brief
Eema M, Avupati VR.
europepmc   +1 more source

Chemical Profiling, Antioxidant, Cytotoxic Activities and Molecular Docking Simulation of Carrichtera annua DC. (Cruciferae). [PDF]

Antioxidants (Basel), 2020
Eltamany EE, Elhady SS, Ahmed HA, Badr JM, Noor AO, Ahmed SA, Nafie MS.   +6 more
europepmc   +1 more source

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. [PDF]

J Biomol Struct Dyn, 2021
Ahmad S, Abbasi HW, Shahid S, Gul S, Abbasi SW.   +4 more
europepmc   +1 more source

Gut Microbiota‐Isoallolithocholic Acid Crosstalk Promotes Calcium Oxalate Kidney Stone Formation via PARP1‐Mediated Parthanatos

Advanced Science, EarlyView.
ABSTRACT Bile acids have been implicated in calcium oxalate (CaOx) nephrolithiasis. Here, we employ multi‐omics approaches to identify isoallolithocholic acid (isoalloLCA) as the key bile acid elevated in the feces, serum, kidney, and urine of CaOx rats, confirmed by spatial metabolomics.
Zijian Zhou, Ruixi Yu, Xuan Zhou, Feng Shi, Zeyu Lin, Peng Gao, Lujia Wang, Ninghan Feng, Zhong Wu, Dawei Wang   +9 more
wiley   +1 more source

Enantioselective synthesis, characterization, molecular docking simulation and ADMET profiling of α-alkylated carbonyl compounds as antimicrobial agents. [PDF]

Sci Rep
Noser AA, Ezzat M, Mahmoud SG, Selim AI, Salem MM.   +4 more
europepmc   +1 more source

Molecular Docking Simulation Studies of Curcumin and Its Derivatives as Cyclin-Dependent Kinase 2 Inhibitors. [PDF]

Turk J Pharm Sci, 2020
Sumirtanurdin R, Sungkar S, Hisprastin Y, Sidharta KD, Nurhikmah DD.   +4 more
europepmc   +1 more source

Targeting β2‐Adrenergic Receptor Stability With Lycorine Reveals a Host‐Directed Pathway for Antiviral Defense Against Poxviruses

Advanced Science, EarlyView.
Chronic stress drives autophagy‐mediated β2‐AR degradation, impairing antiviral immunity and promoting poxvirus lethality. Lycorine directly stabilizes β2‐AR to restore host defense, suppress excessive inflammation and improve survival. ABSTRACT Psychological stress is a pervasive yet poorly understood modulator of infectious disease outcomes. Here, we
Xin Zhang, Shuqin Xu, Zixuan Zhang, Chenwen Wan, Xiaoqin Wang, Peihua Wang, Huini Yang, Tianxiao Huang, Yijia Yuan, Faiza Atique, Rui Yang, Yingli He, Zhijun Liu   +12 more
wiley   +1 more source

The Antioxidant Mechanism of Peptides Extracted from Tuna Protein Revealed Using a Molecular Docking Simulation. [PDF]

Antioxidants (Basel)
Guo X, Liu J, Wang C, Wen Z, Zheng B.
europepmc   +1 more source