Novel Quinazolin-4(3H)-one/Schiff Base Hybrids as Antiproliferative and Phosphodiesterase 4 Inhibitors: Design, Synthesis, and Docking Studies

2014 ◽  
Vol 347 (9) ◽  
pp. 650-657 ◽  
Author(s):  
Hamdy M. Abdel-Rahman ◽  
Mohamed Abdel-Aziz ◽  
Joshua C. Canzoneri ◽  
Bernard D. Gary ◽  
Gary A. Piazza
Keyword(s):  
Schiff Base ◽  
Docking Studies ◽  
Design Synthesis ◽  
Phosphodiesterase 4 ◽  
Phosphodiesterase 4 Inhibitors

DESIGN, SYNTHESIS OF SCHIFF BASE CIPROPFLOXACIN-VANILLIN DERAVATIVES OF POTENT BACTERIAL DNA GYRASE INHIBITOR

INDIAN DRUGS ◽  
2020 ◽  
Vol 57 (03) ◽  
pp. 21-26
Author(s):  
Sudhansu Sekhar Swain ◽  
Jyotirmaya Sahoo ◽  
Rabindra Nath Padhy ◽  
Ravi Kumar B. V. V. ◽  
Sudhir Kumar Paidesetty ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dna Gyrase ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Spectral Studies ◽  
Design Synthesis ◽  
Bacterial Dna ◽  
Sar Studies ◽  
Uropathogenic Bacteria

A series of Schiff base ciprofloxacin hydrazones with vanillin analogues were designed and validated for druggability properties by advanced computational tools, from which two shortlisted compounds were synthesized and characterized by different spectral studies. These compounds were used against bacterial DNA gyrase; purposedly attempted in molecular docking studies, the compounds 5h and 5i indicated good binding affinity of -8.2 and -8.5 kcal/mol, respectively. Moreover, in vitro antibacterial activities against uropathogenic bacteria, E. coli, was assessed and the compounds 5h, and 5i had significant inhibitory actions. SAR studies revealed that the presence of the quinolone nucleus, azomethine functional group and vanillyl ester might have shown the response of antibacterial inhibition. Thus, vanillyl esters condensed with ciprofloxacin hydrazone through Schiff base, have more antibacterial inhibitory actions. The recorded antibacterial results were corroborated with docking results.

scholarly journals Chiral Pyridine-3,5-bis- (L-phenylalaninyl-L-leucinyl) Schiff Base Peptides as Potential Anticancer Agents: Design, Synthesis, and Molecular Docking Studies Targeting Lactate Dehydrogenase-A

Molecules ◽  
2020 ◽  
Vol 25 (5) ◽  
pp. 1096
Author(s):  
Abd El-Galil E. Amr ◽  
Randa E. Abdel Mageid ◽  
Mohamed El-Naggar ◽  
Ahmed M. Naglah ◽  
Eman S. Nossier ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Lactate Dehydrogenase ◽  
Schiff Bases ◽  
Anticancer Agents ◽  
Docking Studies ◽  
Carcinoma Cells ◽  
Design Synthesis ◽  
Molecular Docking Studies ◽  
Mcf 7

A series of branched tetrapeptide Schiff bases 3–6 were designed and synthesized from corresponding tetrapeptide hydrazide 2 as a starting material.In vitroevaluation of the synthesized compounds 4–6 against breast MCF-7 carcinoma cells identified their excellent anticancer potency, with IC50 ranging from 8.12 ± 0.14 to 17.55 ± 0.27 μM in comparison with the references, cisplatin and milaplatin (IC50= 13.34 ± 0.11and 18.43 ± 0.13 μM, respectively). Furthermore, all derivatives demonstrated promising activity upon evaluation of theirin vitroandin vivosuppression of p53 ubiquitination and inhibition assessment for LDHA kinase. Finally, molecular docking studies were performed to predict the possible binding features of the potent derivatives within the ATP pocket of LDHA in an attempt to get a lead for developing a more potent LDHA inhibitor with anti-proliferative potency.

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