Synthesis, antimicrobial activity and in silico studies on thymol esters

Derivatisation of parent structure in terpenoids often results in enhancement of biological activity of newly obtained compounds. Thymol, a naturally occurring phenol biosynthesized through the terpene pathway, is a well known biocide with strong antimicrobial attributes and diverse therapeutic acti...

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Main Authors:	Jelena S Lazarević, Ana Kolarević, Aleksandra Đorđević, Gordana Stojanović, Andrija Šmelcerović, Pierangela Ciuffreda, Enzo Santaniello
Format:	Article
Language:	English
Published:	Slovenian Chemical Society 2017-09-01
Series:	Acta Chimica Slovenica
Subjects:	chemical synthesis thymyl esters in vitro antimicrobial activity in silico calculation
Online Access:	https://journals.matheo.si/index.php/ACSi/article/view/3356

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spelling	doaj-c00f18a1dc164d969889286f924d2e102020-11-25T00:50:00ZengSlovenian Chemical SocietyActa Chimica Slovenica1318-02071580-31552017-09-0164360361210.17344/acsi.2017.3356487Synthesis, antimicrobial activity and in silico studies on thymol estersJelena S Lazarević0Ana Kolarević1Aleksandra Đorđević2Gordana Stojanović3Andrija Šmelcerović4Pierangela Ciuffreda5Enzo Santaniello6Department of Chemistry, Faculty of Medicine, University of Niš, Bul. dr Zorana Đinđića 81, 18000 NišDepartment of Pharmacy, Faculty of Medicine, University of Niš, Bul. dr Zorana Đinđića 81, 18000 NišDepartment of Chemistry, Faculty of Science and Mathematics, University of Niš, Višegradska 33, 18000 NišDepartment of Chemistry, Faculty of Science and Mathematics, University of Niš, Višegradska 33, 18000 NišDepartment of Chemistry and Department of Pharmacy, Faculty of Medicine, University of Niš, Bul. dr Zorana Đinđića 81, 18000 NišDipartimento di Scienze Biomediche e Cliniche "L. Sacco", Università degli Studi di Milano, Via G.B. Grassi 74, 20157 Milano, ItalyDepartment of Biomedical Sciences, Humanitas University, Via Manzoni 113, 20089 Rozzano - MilanoDerivatisation of parent structure in terpenoids often results in enhancement of biological activity of newly obtained compounds. Thymol, a naturally occurring phenol biosynthesized through the terpene pathway, is a well known biocide with strong antimicrobial attributes and diverse therapeutic activities. We have aimed our study on a single modification of phenolic functionality in thymol in order to obtain a small focused library of twenty thymyl esters, ten of which were new compounds. All compounds were involved in in vitro antimicrobial testing. Another important aspect of current study was implementation of in silico calculation of physico-chemical, pharmacokinetic and toxicological properties, which could be helpful by giving an additional guidance in further research.https://journals.matheo.si/index.php/ACSi/article/view/3356chemical synthesisthymyl estersin vitro antimicrobial activityin silico calculation
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Jelena S Lazarević Ana Kolarević Aleksandra Đorđević Gordana Stojanović Andrija Šmelcerović Pierangela Ciuffreda Enzo Santaniello
spellingShingle	Jelena S Lazarević Ana Kolarević Aleksandra Đorđević Gordana Stojanović Andrija Šmelcerović Pierangela Ciuffreda Enzo Santaniello Synthesis, antimicrobial activity and in silico studies on thymol esters Acta Chimica Slovenica chemical synthesis thymyl esters in vitro antimicrobial activity in silico calculation
author_facet	Jelena S Lazarević Ana Kolarević Aleksandra Đorđević Gordana Stojanović Andrija Šmelcerović Pierangela Ciuffreda Enzo Santaniello
author_sort	Jelena S Lazarević
title	Synthesis, antimicrobial activity and in silico studies on thymol esters
title_short	Synthesis, antimicrobial activity and in silico studies on thymol esters
title_full	Synthesis, antimicrobial activity and in silico studies on thymol esters
title_fullStr	Synthesis, antimicrobial activity and in silico studies on thymol esters
title_full_unstemmed	Synthesis, antimicrobial activity and in silico studies on thymol esters
title_sort	synthesis, antimicrobial activity and in silico studies on thymol esters
publisher	Slovenian Chemical Society
series	Acta Chimica Slovenica
issn	1318-0207 1580-3155
publishDate	2017-09-01
description	Derivatisation of parent structure in terpenoids often results in enhancement of biological activity of newly obtained compounds. Thymol, a naturally occurring phenol biosynthesized through the terpene pathway, is a well known biocide with strong antimicrobial attributes and diverse therapeutic activities. We have aimed our study on a single modification of phenolic functionality in thymol in order to obtain a small focused library of twenty thymyl esters, ten of which were new compounds. All compounds were involved in in vitro antimicrobial testing. Another important aspect of current study was implementation of in silico calculation of physico-chemical, pharmacokinetic and toxicological properties, which could be helpful by giving an additional guidance in further research.
topic	chemical synthesis thymyl esters in vitro antimicrobial activity in silico calculation
url	https://journals.matheo.si/index.php/ACSi/article/view/3356
work_keys_str_mv	AT jelenaslazarevic synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT anakolarevic synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT aleksandrađorđevic synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT gordanastojanovic synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT andrijasmelcerovic synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT pierangelaciuffreda synthesisantimicrobialactivityandinsilicostudiesonthymolesters AT enzosantaniello synthesisantimicrobialactivityandinsilicostudiesonthymolesters
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Synthesis, antimicrobial activity and in silico studies on thymol esters

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