In vitro antimicrobial and molecular docking of dichloro substituted benzoxazole derivatives

5,7-Dichloro-1,3-benzoxazole-2-thiol and its novel derivatives that have previously been synthesized in our laboratory are screened for in vitro antibacterial activity. In correlation to antibacterial activity, compounds are subjected to molecular docking studies with GlcN-6-P synthase. All the comp...

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Published inMedicinal chemistry research Vol. 21; no. 12; pp. 4193 - 4199
Main Authors Satyendra, Rangadhol Vinayak-rao, Vishnumurthy, Karagadi Anantha-adiga, Vagdevi, Hosadu Manjappaiah, Rajesh, Kashi Prakash-gupta, Manjunatha, Hanumanthappa, Shruthi, Anantha-gowda
Format Journal Article
LanguageEnglish
Published New York Springer-Verlag 01.12.2012
Subjects
Biochemistry
Biomedical and Life Sciences
Biomedicine
Cell Biology
Original Research
Pharmacology/Toxicology
GlcN-6-P synthase
Resistance
Antibacterial
Molecular docking
Benzoxazole
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Summary:5,7-Dichloro-1,3-benzoxazole-2-thiol and its novel derivatives that have previously been synthesized in our laboratory are screened for in vitro antibacterial activity. In correlation to antibacterial activity, compounds are subjected to molecular docking studies with GlcN-6-P synthase. All the compounds showed good antibacterial activity. Among them, compounds 1 , 4 , and 5a emerged as good antibacterial agents without showing any resistance. In molecular docking studies all the molecules showed good inhibition with GlcN-6-P synthase. So, it can be predicted as inhibition of GlcN-6-P synthase may be responsible for antibacterial activity.
ISSN:1054-2523
1554-8120
DOI:10.1007/s00044-011-9963-z