scholarly journals Molecular Docking Studies and Comparative Binding Mode Analysis of FDA Approved HIV Protease Inhibitors

2014 ◽  
Vol 26 (18) ◽  
pp. 6227-6232 ◽  
Author(s):  
Pran Kishore Deb ◽  
Ahmad Junaid ◽  
Dina El-Rabie ◽  
Tan Yee Hon ◽  
Elham Mohammadi Nasr ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Protease Inhibitors ◽  
Binding Mode ◽  
Docking Studies ◽  
Hiv Protease ◽  
Mode Analysis ◽  
Hiv Protease Inhibitors ◽  
Molecular Docking Studies ◽  
Comparative Binding

Binding of an anionic fluorescent probe with calf thymus DNA and effect of salt on the probe–DNA binding: a spectroscopic and molecular docking investigation

RSC Advances ◽  
2014 ◽  
Vol 4 (108) ◽  
pp. 63549-63558 ◽  
Author(s):  
Saptarshi Ghosh ◽  
Pronab Kundu ◽  
Bijan Kumar Paul ◽  
Nitin Chattopadhyay
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Fluorescent Probe ◽  
Binding Mode ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Molecular Docking Studies ◽  
Biologically Relevant ◽  
Calf Thymus

Binding mode of biologically relevant anionic probe, ANS, with ctDNA is divulged from spectroscopic and molecular docking studies.

scholarly journals Abl inhibitor BMS354825 binding mode in Abelson kinase revealed by molecular docking studies

Leukemia ◽  
2005 ◽  
Vol 19 (7) ◽  
pp. 1267-1269 ◽  
Author(s):  
C Gambacorti-Passerini ◽  
M Gasser ◽  
S Ahmed ◽  
S Assouline ◽  
L Scapozza
Keyword(s):  
Molecular Docking ◽  
Binding Mode ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Abelson Kinase

An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors

2005 ◽  
Vol 44 (20) ◽  
pp. 3140-3144 ◽  
Author(s):  
Edgar Specker ◽  
Jark Böttcher ◽  
Hauke Lilie ◽  
Andreas Heine ◽  
Andreas Schoop ◽  
...  
Keyword(s):  
Protease Inhibitors ◽  
Binding Mode ◽  
Hiv Protease ◽  
Hiv Protease Inhibitors

scholarly journals Pyrazolobenzothiazine-based carbothioamides as new structural leads for the inhibition of monoamine oxidases: design, synthesis, in vitro bioevaluation and molecular docking studies

MedChemComm ◽  
2017 ◽  
Vol 8 (2) ◽  
pp. 452-464 ◽  
Author(s):  
Syed Mobasher Ali Abid ◽  
Sana Aslam ◽  
Sumera Zaib ◽  
Syeda Mahwish Bakht ◽  
Matloob Ahmad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Active Site ◽  
Potent Inhibitor ◽  
Binding Mode ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Monoamine Oxidases ◽  
Mao B

Binding mode of potent inhibitor (green) & cognate ligand (pink) in the active site of MAO-B.

scholarly journals A combined 3D-QSAR and docking studies for the In-silicoprediction of HIV-protease inhibitors

2013 ◽  
Vol 7 (1) ◽  
Author(s):  
Zaheer Ul-Haq ◽  
Saman Usmani ◽  
Hina Shamshad ◽  
Uzma Mahmood ◽  
Sobia Ahsan Halim
Keyword(s):  
Protease Inhibitors ◽  
3D Qsar ◽  
Docking Studies ◽  
Hiv Protease ◽  
Hiv Protease Inhibitors

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.

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