Design, synthesis, molecular docking, and some metabolic enzyme inhibition properties of novel quinazolinone derivatives

2021 ◽  
Author(s):  
Feyzi S. Tokalı ◽  
Parham Taslimi ◽  
İbrahim H. Demircioğlu ◽  
Muhammet Karaman ◽  
Mehmet S. Gültekin ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Enzyme Inhibition ◽  
Metabolic Enzyme ◽  
Design Synthesis ◽  
Quinazolinone Derivatives

Design, synthesis of 2,3-disubstitued 4(3H)-quinazolinone derivatives as anti-inflammatory and analgesic agents: COX-1/2 inhibitory activities and molecular docking studies

2016 ◽  
Vol 24 (16) ◽  
pp. 3818-3828 ◽  
Author(s):  
Alaa A.-M. Abdel-Aziz ◽  
Laila A. Abou-Zeid ◽  
Kamal Eldin H. ElTahir ◽  
Menshawy A. Mohamed ◽  
Mohamed A. Abu El-Enin ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Analgesic Agents ◽  
Inhibitory Activities ◽  
Anti Inflammatory ◽  
Quinazolinone Derivatives ◽  
Cox 1

Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives

2022 ◽  
pp. 132358
Author(s):  
Serdar Burmaoglu ◽  
Elif Akin Kazancioglu ◽  
Mustafa Z. Kazancioglu ◽  
Rüya Sağlamtaş ◽  
Gozde Yalcin ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Enzyme Inhibition ◽  
Metabolic Enzyme ◽  
Chalcone Derivatives

Design, Synthesis and Docking Studies of Some Novel Fluoroquinolone Compounds with Antibacterial Activity

2018 ◽  
Vol 69 (4) ◽  
pp. 815-822 ◽  
Author(s):  
Lucia Pintilie ◽  
Amalia Stefaniu ◽  
Alina Ioana Nicu ◽  
Maria Maganu ◽  
Miron Teodor Caproiu
Keyword(s):  
Antimicrobial Activity ◽  
Antibacterial Activity ◽  
Molecular Docking ◽  
Drug Discovery ◽  
Elemental Analysis ◽  
Docking Studies ◽  
Receptor Protein ◽  
Chemical Methods ◽  
Design Synthesis ◽  
Gram Negative

A new series of fluoroquinolone compounds have been obtained by Gould-Jacobs method. The compounds have been characterized by physic-chemical methods (elemental analysis, FTIR, NMR, UV-Vis) and by antimicrobial activity against Gram-positive and Gram-negative microorganisms. For the synthesized compounds have been performed calculations of characteristics and molecular properties, using Spartan�14 Software from Wavefunction, Inc. Irvine, CA. and molecular docking studies using CLC Drug Discovery Workbench 2.4 software, to identify and visualize the most likely interaction ligand (fluoroquinolone) with the receptor protein.

Design, Synthesis, Molecular Docking and Biological Evaluation of 1-(benzo[d]thiazol-2-ylamino)(phenyl)methyl)naphthalen-2-ol Derivatives as Antiproliferative Agents

2019 ◽  
Vol 16 (10) ◽  
pp. 837-845
Author(s):  
Sandhya Jonnala ◽  
Bhaskar Nameta ◽  
Murthy Chavali ◽  
Rajashaker Bantu ◽  
Pallavi Choudante ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Inhibitory Activity ◽  
Chinese Hamster Ovary Cells ◽  
Chinese Hamster ◽  
Mouse Skin ◽  
Coupling Reaction ◽  
Binding Mode ◽  
Biological Evaluation ◽  
Design Synthesis

A class of 1-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)naphthalen-2-ol derivatives (4a-t) has been synthesized in good yields through a three component coupling reaction. The newly synthesized compounds were evaluated for their in vitro antiproliferative activity against five cell lines such as DU145 (human prostate cancer), MDA-MB-B231 (human breast cancer), SKOV3 (human ovarian cancer), B16-F10 (mouse skin melanoma) and CHO-K1 (Chinese hamster ovary cells), a noncancerous cell line. In vitro inhibitory activity indicates that compounds 4a, 4b, 4c, 4d, 4g, 4j, and 4o exhibited potent anti-proliferative behavior. Among them, compounds 4g, 4j and 4o found to be the most active members exhibiting remarkable growth inhibitory activity. Molecular docking facilitates to investigate the probable binding mode and key active site interactions in tubulins α and β proteins. The docking results are complementary to experimental results.

Design, Synthesis, Characterization, Molecular Docking, ADME Properties and In Vivo Antipsychotic Activity of Aripiprazole Related Drugs Candidates

2017 ◽  
Vol 14 (9) ◽  
Author(s):  
Selvarasu Sekar ◽  
Srinivasan Pazhamalai ◽  
Ganesan Ariharasivakumar ◽  
Mannathusamy Gopalakrishnan
Keyword(s):  
Molecular Docking ◽  
Design Synthesis ◽  
Antipsychotic Activity ◽  
Adme Properties
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