Results 141 to 150 of about 279,921 (297)

Uses of Molecular Docking Simulations in Elucidating Synergistic, Additive, and/or Multi-Target (SAM) Effects of Herbal Medicines

Molecules
The philosophy of herbal medicines is that they contain multiple active components that target many aspects of a given disease. This is in line with the recent multiple-target strategy adopted due to shortcomings with the previous “magic bullet”, single ...
Sean P. Rigby
doaj   +1 more source

The Development and Pilot Clinical Study of CD147 Targeted Antagonistic Peptide Probe for Tumor Imaging

Advanced Science, EarlyView.
This study establishes [68Ga]Ga‐DOTA‐AP9 as a first‐in‐human CD147‐targeted PET tracer with favorable safety and specific tumor uptake. Tracer accumulation correlates with CD147 expression in patients, enabling noninvasive quantification of CD147‐positive malignancies.
Xiaokun Ma, Rui Guo, Dongfeng Niu, Yufei Song, Zhenyao Zhang, Xiangxi Meng, Lili Mao, Haifeng Huang, Hua Zhu, Zhi Yang, Teli Liu   +10 more
wiley   +1 more source

Experimental, molecular docking investigations and bioavailability study on the inclusion complexes of finasteride and cyclodextrins [PDF]

, 2017
Fatma M Mady,1,2 Usama Farghaly Aly2 1Department of Pharmaceutics and Pharmaceutical Technology, Faculty of Pharmacy, Taibah University, Medina, Saudi Arabia; 2Department of Pharmaceutics, Faculty of Pharmacy, Minia University, Minia, Egypt Abstract ...
Mady FM, Farghaly Aly U
core  

ANKS1B in the Nucleus Accumbens Controls Escalated Cocaine Self‐Administration via Regulating CBP‐FoxO3 Complex

Advanced Science, EarlyView.
ANKS1B in the nucleus accumbens plays a critical role in the transition from controlled to escalated cocaine intake. Mechanistically, ANKS1B interacts with CBP to epigenetically suppress FoxO3 through H3K27 acetylation. The ANKS1B‐CBP‐FoxO3 signaling cascade presents a novel theraputic target for the treatment of cocaine addiction.
Liping Yang, Xiaoxuan Wu, Xuan Chen, Chao Peng, Zihang Li, Shumin Gao, Shiqiu Meng, Jing Dong, Dong Wu, Liying Lv, Ying Han, Yanxue Xue, Lin Lu, Jie Shi, Jianfeng Liu, Yan Sun   +15 more
wiley   +1 more source

Deconvolution of molecular mechanisms in di-n-butyl phthalate/mono-n-butyl phthalate induced diabetic kidney disease by integrated machine learning and molecular docking

BMC Nephrology
Background This study investigates the molecular mechanisms by which di-n-butyl phthalate (DBP) and mono-n-butyl phthalate (MnBP)-induced diabetic kidney disease (DKD).
Wenjie Chen, Suyue Hou, Jijia Hu
doaj   +1 more source

Harnessing MDM2‐Mediated Targeted Degradation of Transcriptional and Epigenetic Machinery to Disrupt Oncogenic Addictions in Pediatric Sarcoma

Advanced Science, EarlyView.
MDM2 dependency in pediatric sarcomas is driven by a novel p53‐independent oncogenic cistrome alongside canonical p53 pathway suppression. This study introduces MDM2‐recruiting transcriptional and epigenetic machinery degraders (MDM2‐TEMADs) as a novel precision oncology modality.
Jiawei Zhou, Xian Guan, Nan Li, Ying Zhang, Long Xie, Xingze Huang, Zhipeng Zhu, Zhuolin Ren, Xiaoyan Yu, Hanjun Guo, Yuanfang Wu, Lin Ma, Suya Zheng, Jingyao Zhang, Jiyang Liu, Victor Kuanmin Lee, Wenhao Chen, H. Phillip Koeffler, Jinhu Wang, Xin Han, Ye Chen, Liang Xu   +21 more
wiley   +1 more source

Synergistic application of molecular docking and machine learning for improved binding pose

National Science Open
Accurate prediction of protein-ligand complex structures is a crucial step in structure-based drug design. Traditional molecular docking methods exhibit limitations in terms of accuracy and sampling space, while relying on machine-learning approaches may
Li Yaqi, Lin Hongrui, Yang He, Yuan Yannan, Zou Rongfeng, Zhou Gengmo, Zheng Linfeng, Zheng Hang   +7 more
doaj   +1 more source

FUCA2 Sustains AKT Signaling and Suppresses Senescence by Antagonizing FUT3‐Mediated ErbB3 Fucosylation in Lung Adenocarcinoma

Advanced Science, EarlyView.
ABSTRACT While targeted therapies have improved outcomes in lung adenocarcinoma (LUAD), many patients still lack targetable mutations. Here, we identified alpha‐L‐fucosidase 2 (FUCA2) as a crucial driver of LUAD by preventing cellular senescence. Mechanistically, through the restriction of fucosyltransferase 3 (FUT3)‐mediated α‐1,3‐fucosylation of ...
Lu Chen, Jintao Guo, Fei Li, Mingjie Gao, Runyang Li, Zhaozhang Huang, Yaolin Zheng, Chunyi Gao, Jihuan Hou, Qiang Yu, Bowen Zheng, Xuemei Chen, Wenqing Zhang, Xiaoting Hong, Yali Zheng, Daxuan Wang, Qiyuan Li, Tianhui Hu, Yan‐yan Zhan   +18 more
wiley   +1 more source

Computational Insights into the Molecular Synergy of Paracetamol and Codeine

Life
Combination analgesic therapy is commonly used to improve pain control, yet conventional molecular docking approaches typically evaluate individual ligands and provide limited insight into potential intermolecular associations between co-administered ...
Manuel-Ovidiu Amzoiu, Georgeta Sofia Popescu, Denisa Constantina Amzoiu, Maria Viorica Ciocîlteu, Gabriela Rau, Costel Valentin Manda, Andrei Gresita, Oana Taisescu   +7 more
doaj   +1 more source

Biofilm‐Binding Phages Enhance Biofilm Eradication by Synergistic Photothermal and Photodynamic Therapy

Advanced Science, EarlyView.
Engineered phage‐based trifunctional nanofibers are developed for synergistic biofilm eradication. Biofilm‐binding phages, armed with AuNPs and TCPP, serve as both warheads and scaffolds, endowing the phototherapy agents with biofilm‐anchoring ability. Upon light irradiation, AuNPs induce photothermal therapy, while TCPP generates 1O2 for photodynamic ...
Ying Cao, Tao Yang, Rui Wang, Hui‐Da Li, Xiao‐Yu Zhang, Feng Cheng, Ying Liu, Jian‐Hua Wang, Ting Yang, Chuanbin Mao   +9 more
wiley   +1 more source