Results 261 to 270 of about 109,425 (326)

Flexible docking molecular dynamic simulation between enzyme and inhibitor

Seibutsu Butsuri, 2003
N. Kamiya, J. Higo
openaire   +2 more sources

ADAMTS9‐AS2 Disrupts Docetaxel‐Resistance in Castration‐Resistant Prostate Cancer via Stemness Suppression and Ferroptosis Induction

Advanced Science, EarlyView.
This study uncovered a dual‐track mechanism by which ADAMTS9‐AS2 overcame chemoresistance in CRPC: suppressing cancer stemness through the FOXF2/TGF‐β2 pathway, and triggering ferroptosis via competitive SLC7A11 sequestration. Polymeric materials co‐targeting these vulnerabilities further boost docetaxel sensitivity, highlighting a compelling strategy ...
Ji Liu, Yan Gao, Yadong Guo, Junfeng Zhang, Wentao Zhang, Zhuoran Gu, Haotian Chen, Chengqi Jin, Peng Luo, Shiyu Mao, Yajuan Hao, Shuo Shi, Xudong Yao   +12 more
wiley   +1 more source

QSAR analysis and molecular docking simulation of norepinephrine transporter (NET) inhibitors as anti-psychotic therapeutic agents. [PDF]

Heliyon, 2019
Olasupo SB, Uzairu A, Shallangwa G, Uba S.   +3 more
europepmc   +1 more source

Molecular Dynamics Simulation and Docking Studies Reveals Inhibition of NF-kB signaling as a Promising Therapeutic Drug Target for reduction in Cytokines Storms [PDF]

Abhishek Kumar, Tharun Bharadwaj, Likith Muthuraj, Jitendra Kumar, R. Pravin Kumar, R. Lalitha, Gladstone Sigamani, Shaban Ahmad, Piyush Bhanu, Ravi Pathak, Akshay Uttarkar, Vidya Niranjan, Vachaspati Mishra   +12 more
openalex   +1 more source

Targeted Degradation of eEF2K by a Structure‐Guided PROTAC Strategy for the Treatment of Triple‐Negative Breast Cancer

Advanced Science, EarlyView.
This study developed an eEF2K‐targeting PROTAC, A6, that efficiently degrades eEF2K in TNBC cells, inhibiting tumor growth in vitro and in vivo. To enhance tumor‐specific delivery, we engineered A6@ZIF‐8, a pH‐sensitive nanocarrier, which improved drug accumulation at tumor sites, offering a promising therapeutic strategy for TNBC through targeted ...
Shijun Cao, Changxin Zhong, Shilong Jiang, Yungui Li, Yang Xi, Mingxuan Xiao, Ting Jiang, Xiaoya Wan, Zonglin Chen, Xiaohui Yu, Yan Cheng   +10 more
wiley   +1 more source

Machine Learning, Molecular Docking and Simulation Studies Reveal Lomitapide, Lodipamide, Zafirlukast and Netupitant as Potent Drug Molecules Against Chagas Disease

Kavya Singh, Navjeet Kaur, Ashish A. Prabhu   +2 more
openalex   +1 more source

Catechol Derivative‐Based Bioadhesives: Molecular Design for Precision Medical Adhesion

Advanced Science, EarlyView.
This study utilizes tree‐inspired side‐chain engineering to graft five catechol derivatives onto PVA, systematically revealing how side‐chain length and substituents regulate adhesion and cohesion properties. Among them, the PVA‐CA patch demonstrates superior tissue adhesion, biocompatibility, and promotes regeneration, establishing a programmable ...
Xueyu Wang, Zixin Yang, Shan Wang, Weiwei Tan, Zhirui He, Qinyu Duan, Huanan Wang, Tao Chen, Shanshan Hu   +8 more
wiley   +1 more source

Virtual screening, ADMET prediction, molecular docking, and dynamic simulation studies of natural products as BACE1 inhibitors for the management of Alzheimer’s disease [PDF]

Davood Gheidari, Morteza Mehrdad, Zahra karimelahi   +2 more
openalex   +1 more source

Cascade Therapy of Periodontitis via Sequential Release of Ribosome‐Targeting Antimicrobial Peptide and Irisin From a Multifunctional MOF‐Based System

Advanced Science, EarlyView.
This study presents a novel strategy for periodontitis treatment by co‐delivering a membrane‐ and ribosome‐targeting antimicrobial peptide GF and Irisin through a pH‐responsive metal‐organic framework. The system enables sequential release, providing rapid antibacterial action, anti‐inflammatory and antioxidative effects, as well as promoting bone ...
Yan Chen, Zheng Xu, Yunmo Xue, Shanshan Liu, Xiang Zhang, Jingyao Guo, Minhui Yao, Yue Liu, Xiaolin Lu, Jieshu Qian, Qian Ma   +10 more
wiley   +1 more source