Results 151 to 160 of about 6,028,998 (307)

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

Long Noncoding RNA PCALRx Interacts with Pyruvate Carboxylase to Drive Multi‐Organ Developmental Toxicity in Zebrafish Embryos Exposed to Amoxicillin

Advanced Science, EarlyView.
Embryonic amoxicillin exposure disrupts multi‐organ development in zebrafish larvae through a lncRNA–metabolic enzyme regulatory axis. PCALRx associates with pyruvate carboxylase, promotes PC protein ubiquitination, and impairs mitochondrial energy metabolism, while vitamin B1 partially restores PC‐centered metabolic function and developmental outcomes.
Yixue Yao, Ping Jiang, Xinli Zhou, Mengying Yin, Qiong Luo, Hui Wang   +5 more
wiley   +1 more source

Homology modeling and molecular docking simulation of martentoxin as a specific inhibitor of the BK channel. [PDF]

Ann Transl Med, 2022
Yang C, Yang Z, Tong K, Wang J, Yang W, Yu R, Jiang F, Ji Y.   +7 more
europepmc   +1 more source

High‐Entropy Engineering and External Magnetic Field Modulation Synergistically Enhance the H2S Sensing Performance of Rare‐Earth Perovskite Ferrites

Advanced Science, EarlyView.
A novel high‐entropy perovskite oxide, (Gd0.2Tb0.2Dy0.2Ho0.2Er0.2)FeO3, was successfully synthesized for advanced hydrogen sulfide gas detection. By synergistically coupling high‐entropy‐induced local lattice distortion with weak magnetic field modulation, the tailored material generates abundant active sites. This innovative dual strategy dramatically
Yunfei Wang, Min Zhang, Rui Li, Xiaolong Yao, Zhaofeng Wu, Fengdong Qu, Shan Qiu, Zhenjiang Li   +7 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

A systematic review: Molecular docking simulation of small molecules as anticancer non-small cell lung carcinoma drug candidates. [PDF]

J Adv Pharm Technol Res, 2022
Hidayat S, Ibrahim FM, Suhandi C, Muchtaridi M.   +3 more
europepmc   +1 more source

DDX3x Regulates NINJ1 Transcription via Histone Lactylation in Sepsis Associated‐Acute Kidney Injury

Advanced Science, EarlyView.
This study identifies a potential therapeutic approach for sepsis‐associated acute kidney injury (SA‐AKI). We found that during SA‐AKI, reduced expression of DDX3x in renal tubular epithelial cells mediates histone delactylation, which in turn upregulates NINJ1 transcription and triggers tubular cell death. Conversely, Odetiglucan confers protection by
Hongyu Liang, Jihong Jiang, Huanxin Yin, Chunyan Liu, Hongjun Huang, Yan Luo, Minmin Zhu, Qiuyun Wang   +7 more
wiley   +1 more source

Molecular Docking Study of Anti-viral FDA-approved Drugs as Novel Entry and Replication Ebola Viral Inhibitors [PDF]

Background & Objective: Because of the reported high ability of virulence and the lack of appropriate drug of Ebola virus during the last decades, many investigations have been accomplished regarding discovery and the introduction of anti-Ebola drugs ...
ادهمی, واحد, سپهری, ساقی   +1 more
core  

In silico investigation of thiazole–semicarbazide hybrids as dual GSK-3β/Tau inhibitors for Alzheimer’s disease

Scientific Reports
AD is a widespread and debilitating neurodegenerative disorder, and existing treatments have demonstrated limited efficacy, emphasizing the need for novel therapeutic strategies.
Dileep Kumar, Vinayak Walhekar, K. Mangala Shenoy, Suvarna G. Kini   +3 more
doaj   +1 more source

Cytotoxic Potential of Alternaria tenuissima AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation. [PDF]

Curr Issues Mol Biol, 2022
Al Mousa AA, Abouelela ME, Abouelela ME, Hassane AMA, Al-Khattaf FS, Hatamleh AA, Alabdulhadi HS, Dahmash ND, Abo-Dahab NF.   +8 more
europepmc   +1 more source