Results 111 to 120 of about 69,829 (264)

Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors. [PDF]

PLoS One, 2022
Owoloye AJ, Ligali FC, Enejoh OA, Musa AZ, Aina O, Idowu ET, Oyebola KM.   +6 more
europepmc   +1 more source

A Wireless 3D Magneto‐Mechanical Stimulation Platform Drives In Situ Chondrogenic Commitment of Endogenous MSCs

Advanced Science, EarlyView.
An intracellular magneto‐mechanical platform utilizing MSC‐targeted nanomotors is developed. After intra‐articular delivery, these nanomotors target endogenous BMSCs and are actuated within lysosomes to execute trans‐planar rotational‐bouncing motions under a rotating‐fluctuating 3D magnetic field, generating amplified mechanical stimulation.
Zhenguang Li, Li Peng, Laiya Lu, Yingying Wang, Xiaolei Chen, Feng Yin, Cuijun Deng, Yu Cheng   +7 more
wiley   +1 more source

Exploring glutathione transferase and Cathepsin L-like proteinase for designing of epitopes-based vaccine against Fasciola hepatica by immunoinformatics and biophysics studies

Frontiers in Immunology
Fasciolosis is a zoonotic infection and is considered a developing deserted tropical illness threatening ruminant productivity and causing financial losses.
Hassan H. Alhassan, Muhammad Ikram Ullah, Abdurahman A. Niazy, Sami I. Alzarea, Omar Awad Alsaidan, Abdulaziz Ibrahim Alzarea, Aseel Awad Alsaidan, Abulaziz A. Alhassan, Muharib Alruwaili, Yasir S. Alruwaili, Yasir S. Alruwaili   +10 more
doaj   +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

Robust Amorphous MOF‐Based Aerogels Digital Biosensor for Sensitive Detection of Organophosphate Pesticides

Advanced Science, EarlyView.
We report a robust aerogel digital biosensor by integrating an enzyme‐mediated amorphous MOF within an aerogel matrix for on‐site pesticide detection. The enzyme‐mediated assembly strategy enables in situ tailoring of MOF into a porous amorphous structure, achieving both high stability and activity.
Changshun Su, Xiangyu Zhai, Houru Li, Yijie Wang, Hongxia Li, Yueyao Jiang, Geyu Lu, Xu Yan   +7 more
wiley   +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

A Brain‐Penetrant Nanobody Reveals GSK3β‐Driven Proline‐Directed Phosphorylation as a Master Regulator of Ischemic Neurodegeneration

Advanced Science, EarlyView.
A brain‐targeted nanoparticle enables delivery of a therapeutic nanobody (Nb.29E9) that inhibits pathogenic GSK3β signaling. This intervention restores AMPK/mTORC1/TGFβ homeostasis, attenuates neuroinflammation and oxidative stress, and promotes long‐term functional recovery after ischemic stroke.
Lan Li, Muyang Li, Lei Sun, Ying Yang, Yuanshun Wu, Ziyi Yin, Anni Wang, Peiyang Zhou, Shaoxiang Luo, Jian Chen, Jun Qin, Zhibing Ai, Zilong Yuan, Zhiqiang Dong, Min Zhang   +14 more
wiley   +1 more source

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

Intrinsically Mitochondria‐Targeting Nanozyme via Coordination‐Assembly of Natural Quercetin for Cascade Antioxidant Therapy of Cerebral Ischemia‐Reperfusion Injury

Advanced Science, EarlyView.
This study uncovers that quercetin naturally targets mitochondria. By coordinating quercetin with Fe3+, we engineer an ultrasmall cascade nanozyme (MCN) with superoxide dismutase‐catalase activities. MCN crosses the damaged blood–brain barrier, scavenges mitochondrial ROS, prevents mitochondrial DNA leakage, and blocks the cGAS‐STING pathway, thereby ...
Wenxuan Zheng, Zhicheng Wang, Xin Zhou, Shuya Wang, Xiaojing Shi, Tingli Xiong, Ruishi Li, Yuting Lin, Zhen Chen, Jiawen Wei, Fei Li, Jinwen Ge, Kelong Ai, Chong Liu, Guiming Deng   +14 more
wiley   +1 more source

Discovery of compound candidates for the treatment of allergic diseases: integration of DFT analyses, molecular docking, molecular dynamics simulations, and ADMET profiling

BMC Pharmacology and Toxicology
In this study, a combination of computational analyses (drug similarity, physicochemical properties, pharmacokinetic properties, molecular docking, molecular dynamics simulation, principal component analysis (PCA), free energy landscape (FEL), density ...
Velid Unsal, Erkan Oner, Reşit Yıldız, Supriyo Saha, Başak Doğru Mert, Mehmet Emrah Aksan, Abdulkerim Hatipoğlu   +6 more
doaj   +1 more source