2020
DOI: 10.1039/d0ra05424k
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A greatly improved procedure for the synthesis of an antibiotic-drug candidate 2,4-diacetylphloroglucinol over silica sulphuric acid catalyst: multivariate optimisation and environmental assessment protocol comparison by metrics

Abstract: A greatly improved procedure for the synthesis of antibiotic 2,4-diacetylphloroglucinol has been developed via a newly advanced synthetic method.

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Cited by 20 publications
(8 citation statements)
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“…The druglikeness concept can qualitatively determine the oral bioavailability of a compound. Particularly, it is selected to optimise pharmacokinetics, pharmacodynamics, and pharmaceutical properties of drugs, such as the solubility, bioavailability, chemical stability, and distribution profile in the human body 43,44 . An orally bioactive drug is projected not to violate more than one of the criteria for drug-likeness, i.e., molecular weight (MW) ≤500, partition coefficient (cLogP) ≤5, number of hydrogen bond donors (HBD) ≤5, and number of hydrogen acceptors (HBA) ≤10 45 .…”
Section: Pharmacokinetics Studies Of Bioactive Phytochemicalsmentioning
confidence: 99%
“…The druglikeness concept can qualitatively determine the oral bioavailability of a compound. Particularly, it is selected to optimise pharmacokinetics, pharmacodynamics, and pharmaceutical properties of drugs, such as the solubility, bioavailability, chemical stability, and distribution profile in the human body 43,44 . An orally bioactive drug is projected not to violate more than one of the criteria for drug-likeness, i.e., molecular weight (MW) ≤500, partition coefficient (cLogP) ≤5, number of hydrogen bond donors (HBD) ≤5, and number of hydrogen acceptors (HBA) ≤10 45 .…”
Section: Pharmacokinetics Studies Of Bioactive Phytochemicalsmentioning
confidence: 99%
“…RSM enables the prediction of optimal formulations, with independent variables. [30] This approach not only saves time but also streamlines practical aspects, increases efficiency, and contributes to environmental sustainability. [31,32] Accordingly, this research adopts a holistic strategy, integrating principles of DoE and placing particular emphasis on the utilization of RSM.…”
Section: Introductionmentioning
confidence: 99%
“…Moreover, to find appropriate operating conditions for the synthesis of CNCs/CAg along with demonstrating the influence of the factors on the designated response, optimization combined with the statistical DoE has been performed using response surface methodology (RSM). 17,18 Thus, the ratio of CNCs to chitosan, the amount of Ag + , and the reaction time were selected as variables. Computational approaches using DFT were used to confirm, analyse, and investigate numerous molecular interactions, their target affinity, and the material stability.…”
Section: Introductionmentioning
confidence: 99%