Results 161 to 170 of about 452,634 (352)

Agonistic effect of polyunsaturated fatty acids (PUFAs) and its metabolites on brain-derived neurotrophic factor (BDNF) through molecular docking simulation [PDF]

, 2012
Umashankar Vetrivel, Sathyabaarathi Ravichandran, Kaviarasan Kuppan, Jithu Mohanlal, Undurti N. Das, Narayanasamy Angayarkanni   +5 more
openalex   +1 more source

New Organotin (IV) Compounds Derived from Dehydroacetic Acid and Thiosemicarbazides: Synthesis, Rational Design, Cytotoxic Evaluation, and Molecular Docking Simulation. [PDF]

Bioinorg Chem Appl, 2023
Gómez E, Galván-Hidalgo JM, Pérez-Cuéllar G, Huerta-Landa KA, González-Hernández A, Gómez-García O, Andrade-Pavón D, Ramírez-Apan T, Rodríguez Hernández KD, Hernández S, Cano-Sánchez P, Gómez-Velasco H.   +11 more
europepmc   +1 more source

Targeting PFKFB4 Biomimetic Codelivery System Synergistically Enhances Ferroptosis to Suppress Small Cell Lung Cancer and Augments the Efficacy of Anti‐PD‐L1 Immunotherapy

Advanced Science, EarlyView.
In this study, a targeting PFKFB4 biomimetic codelivery system is developed to improve paclitaxel efficacy by inducing ferroptosis in SCLC. This system enhances immune cell infiltration and cytokine secretion, activating anti‐tumor immunity. Combined with anti‐PD‐L1, it boosts immune responses, offering a novel therapeutic strategy for overcoming ...
Xiang Liu, Jingjun He, Haoxuan Ying, Cuiying Chen, Chongyang Zheng, Peng Luo, Weiliang Zhu, Ting Wei, Bufu Tang, Jian Zhang   +9 more
wiley   +1 more source

Network pharmacology and bioinformatics approach to unravel the mechanism of Xiao-chai-hu-tang herbal formula in tinnitus treatment

Heliyon
Background: Tinnitus treatment remains a global challenge, and current therapeutic approaches are still controversial. This study aims to elucidate the potential mechanisms of Xiao-Chai-Hu-Tang (XCHT) in treating tinnitus through the analysis of network ...
Shihan Liu, Xintong Zhou, Lingli Zhang, Wenlong Luo   +3 more
doaj  

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

PRMT1‐Mediated SWI/SNF Complex Recruitment via SMARCC1 Drives IGF2BP2 Transcription to Enhance Carboplatin Resistance in Head and Neck Squamous Cell Carcinoma

Advanced Science, EarlyView.
PRMT1 drives carboplatin resistance and tumor progression in head and neck squamous cell carcinoma (HNSCC) through a novel, methyltransferase‐independent mechanism. It recruits the SWI/SNF complex to activate IGF2BP2, promoting tumor growth and carboplatin resistance. PBX2 upregulates PRMT1, reinforcing this pathway. This study uncovers a non‐catalytic
Shixian Liu, Wentao Zhang, Weiwei Liu, Zhao Ding, Ruijing Zhang, Yuefeng Han, Zihao Niu, Mengdie Zhang, Hui Li, Dapeng Li, Zixi Wang, Jie Peng, Yu Wu, Yanxun Han, Zihui Xie, Jing Wu, Liang Qin, Zhongdong Hu, Xu Chen, Yunlong Hu, Yehai Liu, Shiyin Ma, Xiaojun Zha   +22 more
wiley   +1 more source

Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach [PDF]

, 2012
Changdev G. Gadhe, Gugan Kothandan, Seung Joo Cho   +2 more
openalex   +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

Decursin‐Loaded Nanovesicles Target Macrophages Driven by the Pathological Process of Atherosclerosis

Advanced Science, EarlyView.
This study presents decursin, a traditional Chinese medicine monomer, that inhibits lipid accumulation and inflammation in atherosclerosis through PKCδ interaction. A novel targeted delivery system (ALD@EM) is developed to overcome decursin's short half‐life, combining antibody‐mediated targeting, LDL‐facilitated chemotaxis, and enhanced macrophage ...
Hui Chen, Yifeng Zhang, Mirenuer Aikebaier, Yawei Du, Yan Liu, Qing Zha, Lan Zheng, Shuyao Shan, Yanping Wang, Jiawei Chen, Yiping Li, Ke Yang, Ying Yang, Wenguo Cui   +13 more
wiley   +1 more source

Molecular Docking via Weighted Subgraph Isomorphism on Quantum Annealers [PDF]

arXiv
Molecular docking is an essential step in the drug discovery process involving the detection of three-dimensional poses of a ligand inside the active site of the protein. In this paper, we address the Molecular Docking search phase by formulating the problem in QUBO terms, suitable for an annealing approach.
arxiv