Results 131 to 140 of about 185,227,745 (225)

SCXRD dataset for "Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study"

Dataset del artículo Jomaa, Ikram; Bardak, Fehmi; ISSAOUI, N.; Cabeza, Aurelio; Choquesillo-Lazarte, Duane CSIC ORCID; Atac, A.; Marouani, Houda; Al-Dossary, Omar M.
Marouani, Houda, Bardak, Fehmi, Issaoui, N., Al-Dossary, Omar M., Choquesillo-Lazarte, Duane, Atac, A., Jomaa, Ikram, Cabeza, Aurelio   +7 more
core   +1 more source

Investigating potential molecular mechanisms linking 6PPD-quinone exposure to Intervertebral Disc Degeneration: A network toxicology, molecular docking, and molecular dynamics simulation study. [PDF]

PLoS One
Yang B, Wang X, Zhuo L, Chen Y, He Q.
europepmc   +1 more source

Integrative network toxicology and machine learning reveal the potential role of 5-hydroxymethylfurfural in exacerbating pulmonary fibrosis. [PDF]

PLoS One
Yang Q, Li F, Li J, Qin T.
europepmc   +1 more source

Synthesis, antitumor evaluation, and <i>in silico</i> investigation of pyridine-based pyrimidotriazine and triazolopyrimidine derivatives as potential EGFR-targeted anticancer agents. [PDF]

RSC Adv
Ramadan SK, Abdelrahman AH, Hegazy MA, Labena A, Gomha SM, Zaki MEA, Azab ME.   +6 more
europepmc   +1 more source

Systems Pharmacology Investigation of Phytochemicals From Scilla peruviana L.: Integrated Gas Chromatography-Mass Spectrometry Profiling, Network Pharmacology, and Molecular Docking Reveal Potential Anti-Inflammatory Mechanisms. [PDF]

ChemistryOpen
Zatout R, Benslama O, Garzoli S.
europepmc   +1 more source

Elucidating the toxicogenomic mechanisms of DBP exposure on Hepatocellular carcinoma through network toxicology and molecular docking analysis. [PDF]

PLoS One
Dai D, Yang N, Liu F, Chen X.
europepmc   +1 more source

Molecular Recognition of Dental Resin Monomers by Salivary Proteins: Integrated Docking, DFT, Molecular Dynamics, and MM/PBSA Analysis. [PDF]

ChemistryOpen
Saini RS, Alhamoudi FH, Binduhayyim RIH, Alshadidi AAF, Alshehri AHA, Okshah A, Alshahrani AA, Kuruniyan MS, Gurumurthy V, Kanji MA, Heboyan A.   +10 more
europepmc   +1 more source

Old Drugs, New Targets: Molecular Docking Insights into Repurposing Proton Pump Inhibitors for the TLR4/MD-2, NLRP3, and C5aR1 Axes in Autoimmune Liver Diseases. [PDF]

Pharmaceuticals (Basel)
Yıldız M, Şeker E, Altınkaya E, Poustforoosh A, Tüzün B, Ataseven H.   +5 more
europepmc   +1 more source

Preparation, Spectroscopic Elucidation, Antioxidant Potential, Enzyme Inhibition, and Molecular Docking Studies of Novel Schiff Base-Derived Thiosemicarbazones. [PDF]

Chem Biodivers
Yakan H, Muglu H, Yenigun S, Ozen T.
europepmc   +1 more source

CHARMM-GUI Covalent Ligand Docker as a Web-Based Molecular Docking Platform for Covalent Ligands. [PDF]

J Chem Inf Model
Kong L, Suh D, Im W.
europepmc   +1 more source