Results 171 to 180 of about 6,028,998 (307)

Application of molecular docking simulation to screening of metal–organic frameworks

Computational Materials Science, 2023
Barbiellini Bernardo, Keshavarz Fatemeh
openaire   +1 more source

A Decoy‐Receptor‐Armed Biomimetic Nanotherapeutic With Inherent Tropism for Conserved Pathogenic Macrophages for Treating Osteoarthritis and Intervertebral Disc Degeneration

Advanced Science, EarlyView.
A biomimetic doppelgänger nanosystem neutralizes extracellular inflammatory cytokines and silences intracellular pyroptosis, reprogramming pathogenic macrophages to attenuate both joint and spine degeneration. ABSTRACT Osteoarthritis (OA) and intervertebral disc degeneration (IVDD) are debilitating musculoskeletal disorders driven by shared ...
Fudong Li, Bin Zhang, Zhiqiu Zhang, Bing Zheng, Linhui Han, Chen Yan, Jialin Li, Kaiqiang Sun, Tianyi Zhao, Jiangang Shi   +9 more
wiley   +1 more source

Integration of epidemiological surveys, network pharmacology, and molecular docking simulation to explore the potential key targets of propofol-induced euphoria. [PDF]

Naunyn Schmiedebergs Arch Pharmacol
Wang L, Liao Z, Qiu G, Yang B.
europepmc   +1 more source

Carrier‐Free Berberine/Nitidine Chloride Self‐Assembled Nanoparticles Induce Ferroptosis to Overcome Bortezomib Resistance in Multiple Myeloma

Advanced Science, EarlyView.
A schematic illustrating the fabrication process and ferroptosis‐mediated therapeutic mechanism of carrier‐free self‐assembled BBR/NC‐SAPs for overcoming bortezomib resistance in multiple myeloma. ABSTRACT Therapeutic relapse driven by bortezomib resistance represents a formidable clinical barrier in the management of multiple myeloma (MM).
Yiwen Lv, Shuang Liu, Hong Wu, Guiluan Li, Ying Rong, Guangchao Li, Yangmin Zhu, Qi Zhong, Ruiming Ou, Huijuan Shen, Zhi Liu, Jing Huang, Zhenwei Wang, Pei Lin, Qing Zhang, Guopan Yu, Zhao Yin   +16 more
wiley   +1 more source

Dapagliflozin in Chronic Kidney Disease: Insights from Network Pharmacology and Molecular Docking Simulation. [PDF]

Life (Basel)
Phongphithakchai A, Tedasen A, Netphakdee R, Leelawattana R, Srithongkul T, Raksasuk S, Huang JC, Chatatikun M.   +7 more
europepmc   +1 more source

TAB2 Causes Neuronal Damage by Aggravating Microglia‐Mediated Neuroinflammation in Parkinson's Disease

Advanced Science, EarlyView.
In microglia, STAT3 upregulates TAB2, which promotes NF‐κB activation through its NZF domain‐mediated recognition of K63‐linked ubiquitin chains, leading to inflammatory cytokine release and subsequent neuronal injury. Lumacaftor suppresses TAB2 expression and directly binds the TAB2‐NZF domain to interrupt K63 ubiquitin recognition, thereby blocking ...
Yanhao Zhao, Zimeng Huang, Jianing Gao, Aolan Li, Huizhi Wang, Yingchuan Chen, Guanyu Zhu, Xin Zhang, Yin Jiang, Moxuan Zhang, Fangang Meng, Jianguo Zhang, Tingting Du   +12 more
wiley   +1 more source

Novel Hybrid Heterocycles Based on 1,4-Diphenylpiperazine Moiety: Synthesis via Hantzsch and Biginelli Reactions, Molecular Docking Simulation, and Antimicrobial Activities. [PDF]

ACS Omega
Diab HM, Salem ME, Abdellatif M, Soliman MM, Abdelhamid IA, Elwahy AHM, Raza N, El-Gabry YA.   +7 more
europepmc   +1 more source

Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment. [PDF]

J Biomol Struct Dyn, 2022
Swain SS, Singh SR, Sahoo A, Hussain T, Pati S.   +4 more
europepmc   +1 more source

Klotho‐Derived Peptide 1 Protects against Acute Kidney Injury by Directly Targeting Mitochondrial ATAD3A

Advanced Science, EarlyView.
This study uncovers that KP1, a Klotho‐derived peptide, protects the kidney against acute kidney injury, a clinical syndrome with high morbidity and mortality. KP1 enters tubular epithelial cells via endocytosis, directly interacts with the mitochondrial ATAD3A/HIGD2A complex, thereby preventing cytochrome c release, and caspases activation, and ...
Xiaoyao Zhang, Shihui Lin, Tianyu Wu, Zhixin Zhang, Hong Zhou, Xue Hong, Youhua Liu   +6 more
wiley   +1 more source

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