scholarly journals Molecular docking studies of 1-(substituted phenyl)-3-(naphtha [1, 2-d] thiazol-2-yl) urea/thiourea derivatives with human adenosine A2A receptor

2011 ◽  
Vol 6 (9) ◽  
pp. 330-334 ◽  
Author(s):  
Faizul Azam ◽  
Medapati Vijaya Vara Prasad ◽  
Neelaveni Thangavel ◽  
Hamed Ismail Ali
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Adenosine A2a Receptor ◽  
Thiourea Derivatives ◽  
Molecular Docking Studies ◽  
A2a Receptor ◽  
Adenosine A2a

scholarly journals Synthesis, antimicrobial activity, urease inhibition and molecular docking studies of new proline linked thiourea derivatives

2020 ◽  
Vol 65 (9) ◽  
pp. 783-788
Author(s):  
Ahmad RAHEEL ◽  
◽  
Imtiaz-Ud DIN ◽  
Syed Hassan IFTIKHAR ◽  
Muhammad Babar TAJ ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Molecular Docking ◽  
Carboxylic Acids ◽  
Elemental Analysis ◽  
Binding Mode ◽  
Docking Studies ◽  
Urease Inhibition ◽  
Thiourea Derivatives ◽  
Molecular Docking Studies ◽  
Docking Simulations

A series of new thiourea based carboxylic acids (Ia-Ie) were synthesized and characterized by elemental analysis, FTIR and NMR (1 H and 13C) spectroscopy. They were preliminary bioassayed for their antibacterial, anifungal and urease inhibition activities. Molecular docking simulations were carried out to determine the probable binding mode of the synthesized compounds. The bioassay results showed that some of titled compounds exhibited encouraging results.

New bioactive Cu(I) thiourea derivatives with triphenylphosphine; synthesis, structure and molecular docking studies

2020 ◽  
Vol 73 (7) ◽  
pp. 1191-1207
Author(s):  
Shazia Hussain ◽  
Imtiaz-ud-Din ◽  
Ahmad Raheel ◽  
Shabeeb Hussain ◽  
Muhammad Nawaz Tahir ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Thiourea Derivatives ◽  
Molecular Docking Studies
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