Results 21 to 30 of about 1,302,906 (282)

Endothelial Extracellular Signal‐Regulated Kinase/Thromboxane A2/Prostanoid Receptor Pathway Aggravates Endothelial Dysfunction and Insulin Resistance in a Mouse Model of Metabolic Syndrome

Journal of the American Heart Association: Cardiovascular and Cerebrovascular Disease, 2022
Background Metabolic syndrome is characterized by insulin resistance, which impairs intracellular signaling pathways and endothelial NO bioactivity, leading to cardiovascular complications. Extracellular signal‐regulated kinase (ERK) is a major component
Atsushi Sato, Yusuke Yumita, Kazuki Kagami, Yuki Ishinoda, Toyokazu Kimura, Ayumu Osaki, Takumi Toya, Takayuki Namba, Shogo Endo, Yasuo Ido, Yuji Nagatomo, Yasushi Satoh, Takeshi Adachi   +12 more
doaj   +1 more source

Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs

Molecules, 2019
A well-behaved model chemistry previously validated for the study of the chemical reactivity of peptides was considered for the calculation of the molecular properties and structures of the Papuamide family of marine peptides.
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies

Journal of the Turkish Chemical Society, Section A: Chemistry, 2020
In this work, synthesis of novel 1,3,4-oxadiazole derivatives were reported. Good molecular properties profile was predicted for the target compounds. In drug likeness prediction, compound 4b and 8b possess the highest score of 0.31 and 0.33, respectively.
Zühal Kılıç Kurt
doaj   +1 more source

In Silico Comparison of Drug-Likeness of Phytochemicals from Nine Herbal Plants against Asthma

Chemistry Proceedings, 2022
Asthma is a chronic obstructive pulmonary disease, affecting approximately 300 million people worldwide. Current therapies have disadvantages such as side effects and high costs.
Tharindra Weerakoon, Nisshaptha Nadarajah, Ramlah Rizwan, Rithmi Ranathunga, Janani Vithanage   +4 more
doaj   +1 more source

Pyrenosetins A–C, New Decalinoylspirotetramic Acid Derivatives Isolated by Bioactivity-Based Molecular Networking from the Seaweed-Derived Fungus Pyrenochaetopsis sp. FVE-001

Marine Drugs, 2020
Marine algae represent a prolific source of filamentous fungi for bioprospecting. In continuation of our search for new anticancer leads from fungi derived from the brown alga Fucus vesiculosus, an endophytic Pyrenochaetopsis sp. FVE-001 was selected for
Bicheng Fan, Pradeep Dewapriya, Fengjie Li, Martina Blümel, Deniz Tasdemir   +4 more
doaj   +1 more source

data hyper-scores

, 2022
Hyper ...
Lotte Odijk (13193391)
core   +1 more source

Datasets comprising the quality validations of simulated protein-ligand complexes and SYBYL docking scores of bioactive natural compounds as inhibitors of Mycobacterium tuberculosis protein-targets

Data in Brief, 2022
Les scores d'amarrage et les paramètres de simulation pour étudier la puissance des composés naturels contre les cibles protéiques de Mycobacterium tuberculosis (Mtb) ont été récupérés par amarrage moléculaire et investigation structurelle in-silico.
Sravan Kumar Miryala, Soumya Basu, Aniket Naha, Reetika Debroy, Sudha Ramaiah, Anand Anbarasu, Saravanan Natarajan   +6 more
openaire   +3 more sources

Appendix E p-scores

, 2021
The p-scores of the network meta-analysis of the systematic review of Roth et ...
Martin Sattelmayer (7062530)
core   +1 more source

A Comprehensive In Silico Exploration of Pharmacological Properties, Bioactivities, Molecular Docking, and Anticancer Potential of Vieloplain F from Xylopia vielana Targeting B-Raf Kinase

Molecules, 2022
Compounds derived from plants have several anticancer properties. In the current study, one guaiane-type sesquiterpene dimer, vieloplain F, isolated from Xylopia vielana species, was tested against B-Raf kinase protein (PDB: 3OG7), a potent target for ...
Syed Shams ul Hassan, Syed Qamar Abbas, Fawad Ali, Muhammad Ishaq, Iqra Bano, Mubashir Hassan, Hui-Zi Jin, Simona G. Bungau   +7 more
doaj   +1 more source

Molecular docking, PASS analysis, bioactivity score prediction, synthesis, characterization and biological activity evaluation of a functionalized 2-butanone thiosemicarbazone ligand and its complexes [PDF]

Journal of Chemical Biology, 2017
2-Butanone thiosemicarbazone ligand was prepared by condensation reaction between thiosemicarbazide and butanone. The ligand was characterized by 1H NMR, 13C NMR, FT-IR, mass spectrometry and UV spectroscopic studies. Docking studies were performed to study inhibitory action against topoisomerase II (Topo II) and ribonucleoside diphosphate reductase ...
Tahmeena, Khan, Shalini, Dixit, Rumana, Ahmad, Saman, Raza, Iqbal, Azad, Seema, Joshi, Abdul Rahman, Khan   +6 more
openaire   +2 more sources