Molecular parameters and the antimicrobial activity of functional derivatives of n-,r-amines
Keywords:molecular descriptors, “drug-likeness” concept, Lipinski rules, antimicrobial activity
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.
Гублер Е.В., Генкин А.А. Применение непараметрических критериев статистики в медико-биологических исследованиях. – Л.: Медицина, 1973. – 141 с.
Anamika S., Rajeev S. // The Open Bioinformatics Journal. – 2013. - Vol.7. - P. 63 – 67.
Bickerton, G.R. et al. // Nat. Chem. – 2012. - Vol. 4. - P. 90-98.
Brock Biology of Microorganisms / M. Madigan, J. Martinko, D. Stahl, D. Clark. 13th Edition. Pearson Education.: 2012. – 1155 p.
ChemOffice Professional [Electronic resource] (viewed on March 20, 2016). – Mode of access: https://www.cambridgesoft.com/Ensemble_for_Chemistry/ ChemOffice/ ChemOfficeProfessional/ – Title from the screen.
Duffy F.J., Devocelle M., Shields D.C. "Computational approaches to developing short cyclic peptide modulators of protein-protein interactions". In Zhou P, Huang J. Methods in molecular biology. Computational Peptidology. New York: Humana Press., 2015. – 250 p.
Fujita T. // QSAR. – 1997. – Vol. 16. – P. 107-112.
Golik М.Yu., Komissarenko N.A., Leonova S.G. et al. // Вісник фармації. – 2015. – №2 (82). – С. 66 – 69.
Golik М.Yu., Кryskiv О.S., Komissarenko A.M. et al. // Вісник фармації. – 2016. – №1 (85). – С. 19 – 23.
Kerns E., Di L. Drug-like properties: concepts, structure design and methods: from ADME to toxicity optimization. Academic Press. 2008, – 526 p.
Leo A., Hansch C., Elkins D. // Chem Rev. – 1971. – Vol. 71, № 6. – P. 525–616.
Lipinski C.A. // Technologies. – 2004. – Vol. 1, № 4. – P. 337–341.
Lipinski C.A., Lombardo F., Dominy B.W. et al // Adv. Drug Deliv. Rev. - 2001. - Vol. 46, № 1-3. – P. 3–26.
Padrón J.A., Carrasco1 R., Pellón R.F. // J Pharm Pharmaceut Sci. - 2002. - №5(3). – P.258-266.
Raevsky O.A., Grigor’ev V.Y., Liplavskaya E.A. et al. // Mol. Inf. - 2011. - Vol. 30, № 2-3. – P. 267 – 275.
Statistica. [Electronic resource] (viewed on March 20, 2016). – Mode of access: http://www.statsoft.com/Products/STATISTICA-Features/ – Title from the screen.
Yusof I., Segall M.D. // Drug Discov. Today. – 2013. - Vol.18, №13-14. – P. 659-666.
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