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News of pharmacy
Article . 2016 . Peer-reviewed
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News of pharmacy
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Molecular parameters and the antimicrobial activity of functional derivatives of n-,r-amines

Authors: Golik, M. Yu.; Kryskiv, O. S.; Dudka, K. I.; Kolisnyk, O. V.;

Molecular parameters and the antimicrobial activity of functional derivatives of n-,r-amines

Abstract

To check for conformity of the “drug-likeness” concept in the series of functional derivatives of N-R-amines their physico-chemical parameters have been calculated using the ChemBio3D Ultra 14.0 software; they determine bioavailability according to Lipinski rules. The abovementioned derivatives are shown to be promising for further study. Using the correlation and regression analysis the quantitative “structure – antimicrobial activity” relationship has been determined among some N-R-amines, and it can be useful while searching biologically active substances in the given series.

Для проверки на соответствие концепции «drug likeness» ряда функциональных производных N-,R-аминов, с использованием программы ChemBio3D Ultra 14.0 рассчитаны их физико-химические параметры, определяющие биодоступность согласно «правил Липински» и показано, что указанные производные являются перспективными для дальнейшего изучения. С использованием корреляционно-регрессионного анализа установлена количественная взаимосвязь «структура - антимикробная активность» среди некоторых N-,R-аминов, что может быть полезным при поиске биологически активних веществ в указанном ряду.

Для перевірки на відповідність концепції «drug likeness» ряду функціональних похідних N-,R-амiнів, з використанням програми ChemBio3D Ultra 14.0 розраховані їх фізико-хімічні параметри, які визначають біодоступність згідно «правил Ліпінські» та показано, що згадані похідні є перспективними для подальшого вивчення. З використанням кореляційно-регресійного аналізу встановлено кількісний зв'язок «структура - антимікробна активність» серед деяких N-,R-амiнів, що може бути корисним під час пошуку біологічно активних сполук у зазначеному ряду.

Keywords

УДК 311.16:547.233.1/4, molecular descriptors; “drug-likeness” concept; Lipinski rules; antimicrobial activity, UDC 311.16:547.233.1/4, молекулярные дескрипторы; концепция «drug likeness»; правила Липински; противомикробная активность, молекулярні дескриптори; концепція «drug likeness»; правила Ліпінські; протимікробна активність

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
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