Results 211 to 220 of about 452,634 (352)

Mechanical Stress Induced NOX2 Promotes Endothelial Dysfunction in Ventilator‐Induced Lung Injury: Potential Treatment with Quercetin

Advanced Science, EarlyView.
Abnormal mechanical stretch induced by mechanical ventilation (MV) disrupts endothelial junctions via the NOX2/ROS/CaMKII/ERK1/2 axis both in human aortic endothelial cells (HAECs) in vitro and in ventilator‐induced lung injury (VILI) in mice. Quercetin, an antioxidant predicted to bind to NOX2, can effectively prevent mechanical stretch‐induced ...
Tao Jiang, Yabing Zhang, Zhiye Guo, He Ren, Weiyi Hu, Qingping Yao, Yunlong Huo, Yingxin Qi, Kai Huang   +8 more
wiley   +1 more source

Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one [PDF]

, 2017
Suhana Arshad, Renjith Raveendran Pillai, Dian Alwani Zainuri, Nuridayanti Che Khalib, Ibrahim Abdul Razak, Stevan Armaković, Sanja J. Armaković, Rishikesh Renjith, C. Yohannan Panicker, Christian Van Alsenoy   +9 more
openalex   +1 more source

Molecular docking simulation reveals ACE2 polymorphisms that may increase the affinity of ACE2 with the SARS-CoV-2 Spike protein. [PDF]

Biochimie, 2021
Calcagnile M, Forgez P, Iannelli A, Bucci C, Alifano M, Alifano P.   +5 more
europepmc   +1 more source

Overcoming Extreme Ammonia Inhibition on Methanogenesis by Artificially Constructing a Synergistically Community with Acidogenic Bacteria and Hydrogenotrophic Archaea

Advanced Science, EarlyView.
This study proposes a two‐step biological strategy to synergistically enhance the three stages of anaerobic digestion, ultimately eliminating the extreme ammonia inhibition and breaking through the inefficiency bottleneck of conventional biotechnology.
Heng Wu, Huaiwen Zhang, Taili Dong, Zhenyu Li, Xiaohui Guo, Heyu Chen, Yiqing Yao   +6 more
wiley   +1 more source

A model to study the inhibition of nsP2B-nsP3 protease of dengue virus with imidazole, oxazole, triazole thiadiazole, and thiazolidine based scaffolds

Heliyon, 2019
A theoretical model was developed to allosterically inhibit the biological activity of dengue virus (DENV) by targeting the non-structural protein ns2B-nsP3 protease based on the in silico studies.
Vijay Kumar Vishvakarma, Nidhi Shukla, Reetu, Kamlesh Kumari, Rajan Patel, Prashant Singh   +5 more
doaj  

Synthesis, Structure-Activity Relationship, Docking and Molecular Dynamic Simulation of Curcumin Analogues Against HL-60 for Anti Cancer Agents (Leukemia) [PDF]

, 2017
Yum Eryanti, Adel Zamri, Neni Frimayanti, Hilwan Yuda Teruna, Unang Supratmman, Tati Herlina, Yoshihito Shiono   +6 more
openalex   +1 more source

Homology modeling and molecular docking simulation of some novel imidazo[1,2-a]pyridine-3-carboxamide (IPA) series as inhibitors of Mycobacterium tuberculosis. [PDF]

J Genet Eng Biotechnol, 2021
Abdullahi M, Adeniji SE, Arthur DE, Haruna A.   +3 more
europepmc   +1 more source

Knowledge Distillation for Molecular Property Prediction: A Scalability Analysis

Advanced Science, EarlyView.
This study explores the effectiveness of knowledge distillation (KD) for molecular property prediction using graph neural networks. By leveraging KD, student models achieve improved scalability and predictive accuracy across domain‐specific and cross‐domain molecular datasets.
Rahul Sheshanarayana, Fengqi You
wiley   +1 more source

Molecular Docking and Dynamic Simulation of AZD3293 and Solanezumab Effects Against BACE1 to Treat Alzheimer's Disease [PDF]

, 2018
Mubashir Hassan, Saba Shahzadi, Sung Yum Seo, Hany Alashwal, Nazar Zaki, Ahmed A. Moustafa   +5 more
openalex   +1 more source

Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles. [PDF]

Spectrochim Acta A Mol Biomol Spectrosc, 2021
El Sayed DS, Abdelrehim EM.
europepmc   +1 more source