Antiviral and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from Curcumin

Saeed, Bahjat A.; Saour, Kawkab Y.; Elias, Rita S.; Al‐Masoudi, Najim A.

doi:10.3844/ajisp.2010.25.28

Cited by 5 publications

(5 citation statements)

References 20 publications

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“…1‐(5‐Chloro‐2‐methylphenyl)‐2,3‐dihydronaphthyridine‐4,5(1 H , 6 H )‐dione ( 12b ), which is also non‐crystalline, was synthesized in 59% yield by heating at reflux compound 11b with ammonium acetate in glacial acetic acid. In the 1 H NMR spectrum for 12b , the signals of the ester group protons are absent in comparison with the spectrum for 11b .…”

Section: Resultsmentioning

confidence: 99%

“…Natural piperidine alkaloids embody hydropyridone moiety in their structure. Compounds containing this moiety are important intermediates in the synthesis of other biologically active heterocyclic compounds , such as piperidines , perhydroquinolines , and indolizidines .…”

Section: Introductionmentioning

confidence: 99%

“…The first pyrazolone derivative, antipyrine, was synthesized in 1883 and has been used for fever reduction in arthritis therapy. Recently, the potential of excellent biological activity of pyrazolone derivatives has stipulated enormous interest in this class of compounds as they are used as analgetic , antimicrobial , anticancer , antitubercular , antiviral , antidepressant , and antiduretic agents. Some of pyrazolone derivatives are also used in dye industry, because pyrazolone scaffold constitutes part of azo dyes and improves their practical properties .…”

Section: Introductionmentioning

confidence: 99%

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Synthesis and Heterocyclization of 1‐Aryl‐2‐methyl‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylates

Sapijanskaitė

Mickevičienė

Kantminienė

et al. 2017

Journal of Heterocyclic Chem

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A series of novel isoxazole, dihydropyrazolone, and tetrahydropyridine derivatives were synthesized by the reaction of corresponding ethyl 1‐substituted aryl‐2‐methyl‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylates with different hydrazines and hydroxylamine. Reaction of tetrahydropyridone with N,N‐dimethylformamide dimethyl acetal provided 1‐(5‐chloro‐2‐methylphenyl)‐2‐[2‐(dimethylamino)ethenyl]‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylate, which was cyclized into a bicyclic compound on treatment with ammonium acetate. The structures of all synthesized compounds were confirmed by IR, 1H NMR, and 13C NMR spectroscopy data. The structure of 5‐(5‐chloro‐2‐methylphenyl)‐4‐methyl‐2‐phenyl‐2,5,6,7‐tetrahydro‐3H‐pyrazolo[4,3‐c]pyridin‐3‐one was unambiguously assigned by means of X‐ray analysis data.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Synthesis and Heterocyclization of 1‐Aryl‐2‐methyl‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylates

Sapijanskaitė

Mickevičienė

Kantminienė

et al. 2017

Journal of Heterocyclic Chem

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“…Preparation of bioactive compounds as a ligand. Bioactive compounds of Zingiberaceae (Lakshmipathy and Kannabiran, 2009;Erukainure et al, 2011;Kiranmayee et al, 2010;Duru and Onyedineke, 2010;Jinsong et al, 2010;Nilesh et al, 2011;Saeed et al, 2010;Cheng et al, 2010;Bhuiyan et al, 2009;Aja et al, 2010) were modeled into three-dimensional structure using ACD Labs software. Three-dimensional shape was obtained by saving it in the 3D viewer in ACDLabs.…”

Section: Methodsmentioning

confidence: 99%

Untitled

Tambunan¹,

Fadilah

Parikesit

2010

OnLine Journal of Biological Sciences

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Problem statement: Influenza A/H1N1 is a disease caused by infection of influenza a virus subtype H1N1. It is a major health problem in tropical and subtropical countries. This virus constantly mutates and consequently will be developed into new drug-resistant strains. Approach: In this research, we have conducted docking study to screen bioactive compounds from Zingiberaceae family, which has a role as neuraminidase inhibitor of influenza a virus. Results: The docking result identified that 1, 2-di-O-β-D-glucopyranosyl-4-allylbenzene (BGA) compound has the affinity and ability to inhibit neuraminidase. There are fourteen residues contact of BGA compound to neuraminidase and eight residues contact of enzyme that formed hydrogen bond with catalytic site. Conclusion/recommendation: The docking result showed that BGA has better binding energy and affinity compared with other bioactive compounds and the standard compounds.

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“…The use of quantum chemical descriptors in the development QSAR has received attention due to reliability and versatility of prediction by these descriptors. For the calculation of the quantum chemical molecular descriptor used in QSAR studies, semi empirical methods such as AM1 and PM3 mainly have been used (Saeed and Elias, 2010;Saeed et al, 2010a;2010b). However, DFT method has been used recently for the prediction of physiochemical and biological properties of organic molecules (Shaik et al, 2010;Siu and Che, 2006).…”

Section: Introductionmentioning

confidence: 99%

Theoretically Predicted Descriptors Based Quantitative Structure Activity Relationship Study of the Activity of Acridines Against B-16 Melanoma

Saeed¹

2011

American Journal of Applied Sciences

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Problem statement: The probability of success and reducing time and coast in drug discovery process could be increased on the basis of QSAR techniques. The study involves the QSAR investigation of 20 bioactive acridines that have activity against Approach: Molecular descriptors, total energy, van der Waals volume, molecular volume, HOMO energy, HOMO-LUMO energy gap, polarizability, refractivity, bond angle of C8-N9-C2 and bond length of C14-N6 were calculated. Initial geometry optimizations were carried out with RM1 Hamiltonian. Lowest energy conformers were subjected to single point calculations by DFT method. Several models for the prediction of biological activity have been drawn up by using the multiple regression technique. Results: Four models with R2 ranges from 0.88-0.93 were predicted. A model with hepta-parametric equation with R2 0.93 was used to predict the biological activities, the agreement between the observed and the predicted values was up to 93%. Conclusion: The biological activity of the studied acridines can be modeled with quantum chemical molecular descriptors.

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Antiviral and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from Curcumin

Cited by 5 publications

References 20 publications

Synthesis and Heterocyclization of 1‐Aryl‐2‐methyl‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylates

Synthesis and Heterocyclization of 1‐Aryl‐2‐methyl‐4‐oxo‐1,4,5,6‐tetrahydropyridine‐3‐carboxylates

Untitled

Theoretically Predicted Descriptors Based Quantitative Structure Activity Relationship Study of the Activity of Acridines Against B-16 Melanoma

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