Results 161 to 170 of about 69,829 (264)

EphB1‐Mediated Transient Blood‐Brain Barrier Opening Facilitates a Ferritin‐Based Nanotherapeutic for Alzheimer's Disease

Advanced Science, EarlyView.
We constructed a brain‐targeted AFn‐DPZ nanodrug delivery system and identified EphB1 as its receptor on the blood‐brain barrier (BBB). This system facilitates drug transport across the BBB and thereby ameliorates cognitive impairment in Alzheimer's disease.
Shilin Wen, Jingjing Gao, Zhixian Wang, Qiumin Ma, Xiao‐Ling Xu, Jianer Chen   +5 more
wiley   +1 more source

In silico binding role of flavonoids as SARS-CoV-2 main protease (M^pro) inhibitors: A dataset of molecular docking simulation-based high-throughput virtual screening (HTVS). [PDF]

Data Brief
Eema M, Avupati VR.
europepmc   +1 more source

Chemical Profiling, Antioxidant, Cytotoxic Activities and Molecular Docking Simulation of Carrichtera annua DC. (Cruciferae). [PDF]

Antioxidants (Basel), 2020
Eltamany EE, Elhady SS, Ahmed HA, Badr JM, Noor AO, Ahmed SA, Nafie MS.   +6 more
europepmc   +1 more source

Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment. [PDF]

J Biomol Struct Dyn, 2021
Ahmad S, Abbasi HW, Shahid S, Gul S, Abbasi SW.   +4 more
europepmc   +1 more source

Targeting GALNT7 Disrupts the TAZ O‐GalNAcylation Feedback Loop to Suppress Gallbladder Cancer Progression

Advanced Science, EarlyView.
Aberrant GALNT7‐mediated O‐GalNAcylation stabilizes TAZ to drive gallbladder cancer progression through a feed‐forward transcriptional loop. Structure‐based screening identifies Olaparib as a potent GALNT7 antagonist that disrupts this oncogenic axis, providing an immediate therapeutic strategy for this aggressive malignancy.
Peng Qiu, Ming Zhang, Yunxiang Feng, Yibo Deng, Kai Zhao, Xiangyu Li, Yun Lu, Li Tian, Tao Yang, Wei Yao, Jianming Wang, Zhengdong Deng   +11 more
wiley   +1 more source

Enantioselective synthesis, characterization, molecular docking simulation and ADMET profiling of α-alkylated carbonyl compounds as antimicrobial agents. [PDF]

Sci Rep
Noser AA, Ezzat M, Mahmoud SG, Selim AI, Salem MM.   +4 more
europepmc   +1 more source

Molecular Docking Simulation Studies of Curcumin and Its Derivatives as Cyclin-Dependent Kinase 2 Inhibitors. [PDF]

Turk J Pharm Sci, 2020
Sumirtanurdin R, Sungkar S, Hisprastin Y, Sidharta KD, Nurhikmah DD.   +4 more
europepmc   +1 more source

HMGCR‐Driven Cholesterol Metabolism Promotes Osteoarthritis Progression by Accelerating Synovial Fibroblast Senescence

Advanced Science, EarlyView.
In the pathological context of osteoarthritis (OA), the phosphorylation of AKT1 at Ser473 enhances its binding to Lys140 of Insig1, which facilitates the formation of AKT1–Insig1 complex. Subsequently, the activation of AKT1 promotes the phosphorylation of Insig1 at Ser189, potentially enhancing the dissociation of Insig1 from sterol regulatory element‑
Xiaoqi Zhang, Siru Zhou, Xi Liu, Wei Xiang, Xiuqin Peng, Yu Tian, Song Li, Hailin Wang, Bo Liao, Shunzheng Fang, Runze Jin, Jinhui Wu, Chuanqing Bai, Wei Zhang, Bo Huang, Bingfei Li, Lifeng Chen, Lin Chen, Bin Zhang, Zhenhong Ni   +19 more
wiley   +1 more source

The Antioxidant Mechanism of Peptides Extracted from Tuna Protein Revealed Using a Molecular Docking Simulation. [PDF]

Antioxidants (Basel)
Guo X, Liu J, Wang C, Wen Z, Zheng B.
europepmc   +1 more source

Meso-Substituted Thiazole Orange for Selective Fluorescence Detection to G-Quadruplex DNA and Molecular Docking Simulation. [PDF]

ACS Omega, 2020
Guan L, Zhao J, Sun W, Deng W, Wang L.
europepmc   +1 more source