Quantitative Structure-Activity Relationship Studies on Anticancer Drugs

Gupta, S. P.

doi:10.1021/cr00030a003

Cited by 98 publications

(59 citation statements)

References 87 publications

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“…3 Their role as electron transfer agents in primary metabolic processes like photosynthesis and respiration is vital to human life. A large number of chemical derivatives with 1,4-benzoquinone as the basic subunit exhibit prominent pharmacological applications such as antibiotic, 4,5 antitumor, [6][7][8][9] antimalarial, 7,10 antineoplastic, 11 anticoagulant 12 and herbicidal activity. 13 Wide applications of quinones can also be found in the field of synthetic organic chemistry.…”

Section: Introductionmentioning

confidence: 99%

“…Passmore and coworkers 294 identified this pseudo-1,3-dipolar cycloaddition as a powerful tool for accessing a variety of mono-and bifunctional 6p heterocyclic 1,3-dithiazolium cations. They reported the unprecedented formation of a benzo-fused 1,3,2-dithiazolium [AsF 6 -] salt by a one step quantitative cycloaddition of SNSAsF 6 with 1,4-benzoquinone (1) (Scheme 55).…”

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confidence: 99%

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Recent advances in 1,4-benzoquinone chemistry

Abraham¹,

Joshi²,

Pardasani³

et al. 2011

J. Braz. Chem. Soc.

166

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As 1,4-benzoquinonas são encontradas em toda a natureza, podendo ser sintetizadas por diversas estratégias. Esta revisão apresenta os desenvolvimentos recentes das metodologias de síntese, das reações de ciclo adição, da química computacional e dos estudos de pulso radiolítico. Destaca ainda a sua significância química e biológica e de seus compostos derivados.1,4-Benzoquinones are ubiquitous in nature and can be synthesized by diverse strategies. Recent developments on their synthetic methodologies, cycloaddition reactions, computational chemistry and pulse radiolytic studies are reported in this review. Their chemical and biological significance as well as their derivates' are also covered.

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Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

Recent advances in 1,4-benzoquinone chemistry

Abraham¹,

Joshi²,

Pardasani³

et al. 2011

J. Braz. Chem. Soc.

166

View full text Add to dashboard Cite

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“…Although there are many anticancer drugs currently available, their use in the treatment is limited due to their adverse effects, and the development of resistance. The side effects accompanying the use of these drugs arise from the fact that anticancer agents act on both tumour cells and healthy cells [3][4][5][6] . From the above discussion, it is clear that the search for new effective compounds which can selectively inhibit the proliferation of abnormal cells only with least or no affect on normal cells has gained great importance 6 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis of 1-acetyl-3-(2-thienyl)-5-aryl-2-pyrazoline derivatives and evaluation of their anticancer activity

Özdemir

Altıntop

Kaplancıklı

et al. 2012

Journal of Enzyme Inhibition and Medicinal Chemistry

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“…In particular, quite frequently many potent drug candidates present good results for in vitro assays but completely fail when subjected to in vivo assays. A number of quantitative structure-activity relationship (QSAR) studies have been reported in the literature, which use calculated molecular descriptors in predicting anticancer [19], antihistaminic [20] and CNS activity [21], as a set of physicochemical, pharmacological or toxicological properties of substance. However, there are relatively few publications reporting on extensive QSAR analyses applied to antifungal species [22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

QSAR studies of a number of triazole antifungal alcohols

Nowaczyk

Modzelewska-Banachiewicz

2010

Open Chemistry

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Abstract:The activity of fungicide agents containing a quinazolinone ring was described using the quantitative structure-activity relationship (QSAR) model by applying it to data taken from literature. The title compounds exhibit two important types of activity against certain fungal pathogens, i.e. activity against yeast and activity against filamentous fungi. A correlation between both antifungal activities (e.g. FA(yst) and FA(ff)) and physicochemical parameters such as the logarithm of the n-octanol/water partition coefficient (log P), the polarizability (P), the global minimum energy (TE), the energy difference between the frontier molecular orbital (DELH) and the molar refractivity (MR), was established using multiple linear regression. The molecular descriptors of the antifungal agents were obtained by quantum chemical calculations combined with molecular modeling calculations. Statistical analysis shows that the antifungal activity depends mainly on the calculated partition coefficients, log P, of the compounds. Bi-parametric models reveal that antifungal activity relates linearly to log P and P. © Versita Sp. z o.o.

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Quantitative Structure-Activity Relationship Studies on Anticancer Drugs

Cited by 98 publications

References 87 publications

Recent advances in 1,4-benzoquinone chemistry

Recent advances in 1,4-benzoquinone chemistry

Synthesis of 1-acetyl-3-(2-thienyl)-5-aryl-2-pyrazoline derivatives and evaluation of their anticancer activity

QSAR studies of a number of triazole antifungal alcohols

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