Structural and stability investigation of the anticancer drug Cyclophosphamide via quantum chemical calculations :A nanotube drug delivery

Felegari, Zahra

doi:10.13005/ojc/300447

Cited by 8 publications

(1 citation statement)

References 39 publications

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“…In order to assess more accurately and to provide a background frame work for the work described in this paper, a correlation between biological activity and some appropriate quantum descriptors [8][9] such as E HOMO , E LUMO , energy gap, global hardness, global hardness softness, electrophilicity index and molecular electrostatic potential have also been carried out from the density functional theory (DFT).…”

Section: Introductionmentioning

confidence: 99%

Antibacterial Activity and Global Reactivity Descriptors of some Newly Synthesized Unsymmetrical Sulfamides

Bendjeddou¹,

Abbaz²,

Ayari³

et al. 2016

Orient. J. Chem

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In the present study a series of unsymmetric linear sulfamides (1-9) starting from a primary amine were synthesized and their structures were confirmed by elemental analyses, mass spectrometry and 1 H NMR techniques. All the synthesized compounds were screened for their antibacterial activities by both disc diusion and minimal inhibition concentration (MIC) methods. Frontier molecular orbital (FMO) analysis and global reactivity descriptors have been performed using the density functional theory (DFT) with the B3LYP functional. The results indicated that these derivatives, depending of their substituted radical, bring about an improvement in the bacterial activity.

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Section: Introductionmentioning

confidence: 99%