A research on structural vibrational, surface characterization of 2-methyl-3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4H-pyrido[1,2-a]pyrimidin-4-one hydrate: SCXRD, FT-IR, MEP, Hirshfeld and Molecular Docking studies

2021 ◽  
pp. 130198
Author(s):  
Sanae Lahmidi ◽  
Fatih Şen ◽  
Yusuf Sert ◽  
Fatih Ucun ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Surface Characterization ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Ft Ir

scholarly journals Synthesis and Characterization of Novel Schiff base Cu(II) Complexes: Antimicrobial and Molecular docking Studies

2017 ◽  
Vol 3 (2) ◽  
pp. 75-90
Author(s):  
AP Arumugam ◽  
G Elango ◽  
S Guhanathan
Keyword(s):  
Molecular Docking ◽  
Metal Complexes ◽  
Spectroscopic Data ◽  
Docking Studies ◽  
Octahedral Geometry ◽  
Synthesis And Characterization ◽  
Glutaric Anhydride ◽  
Molecular Docking Studies ◽  
Ft Ir

N2O2 type complexes of C+2uion have been synthesized by the reaction of Salicylaldehyde/ 3,4-diaminobenzophenone/ acetyl acetoneand glutaric anhydride. The ligands and respective metal complexes was established through spectroscopic data (FT-IR, UV-Vis,1H NMR and 13C NMR). They are non-electrolytic in nature as their molar conductivities (ΛM) in DMSO of 10-3 M solution from the EPR study the complexes proposed to be octahedral geometry. All the metal complexes have been screened for their antibacterial activity andthe predicted binding affinity using molecular docking studies.

Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone

2015 ◽  
Vol 15 (17) ◽  
pp. 1743-1749 ◽  
Author(s):  
Aurelio San-Martin ◽  
Viviana Donoso ◽  
Sergio Leiva ◽  
Mitchell Bacho ◽  
Solange Nunez ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Antitumoral Activity ◽  
Molecular Docking Studies

Spectroscopic (FT-IR, FT Raman and UV-Vis), Quantum Computational and Molecular Docking studies on Propylthiouracil

2021 ◽  
Vol 11 (6) ◽  
pp. 771-791
Author(s):  
A. Anuradha ◽  
Rinnu Sara Saji ◽  
Johanan Christian Prasana ◽  
S. Muthu ◽  
Fathima Rizwana B
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Ft Ir ◽  
Ft Raman

New selective A2A agonists and A3 antagonists for human adenosine receptors: synthesis, biological activity and molecular docking studies

MedChemComm ◽  
2015 ◽  
Vol 6 (6) ◽  
pp. 1178-1185 ◽  
Author(s):  
Anna Rodríguez ◽  
Angel Guerrero ◽  
Hugo Gutierrez-de-Terán ◽  
David Rodríguez ◽  
José Brea ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Docking ◽  
Adenosine Receptors ◽  
Docking Studies ◽  
Pharmacological Characterization ◽  
Molecular Docking Studies ◽  
Adenosine Derivatives

Synthesis and pharmacological characterization of a new series of adenosine derivatives on the four human adenosine receptors are reported.

Sign in / Sign up

Export Citation Format

Share Document