Synthesis, molecular modelling and biological significance of N -(4-(4-bromophenyl) thiazol-2-yl)-2-chloroacetamide derivatives as prospective antimicrobial and antiproliferative agents

BMC Chemistry
Deepika SharmaVasudevan Mani

Abstract

To combat the antimicrobial and anticancer drug resistance by pathogens and cancerous cells, efforts has been made to study the pharmacological activities of newly synthesized N-(4-(4-bromophenyl)thiazol-2-yl)-2-chloroacetamide derivatives. The molecular structures of the synthesized derivatives were confirmed by their physicochemical properties and spectroanalytical data (NMR, IR and elemental). The synthesized compounds were evaluated for their in vitro antimicrobial activity against bacterial (Gram positive and Gram negative) and fungal species using turbidimetric method and anticancer activity against oestrogen receptor positive human breast adenocarcinoma cancer cell line (MCF7) by Sulforhodamine B (SRB) assay. Molecular docking studies were carried out to study the binding mode of active compounds with receptor using Schrodinger v11.5. The antimicrobial activity results revealed that compounds d1, d2 and d3 have promising antimicrobial activity. Anticancer screening results indicated that compounds d6 and d7 were found to be the most active ones against breast cancer cell line. Furthermore, the molecular docking study demonstrated that compounds d1, d2, d3, d6 and d7 displayed good docking score within binding pocket of t...Continue Reading

References

Jul 4, 1990·Journal of the National Cancer Institute·P SkehanM R Boyd
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Apr 29, 2011·Bioorganic & Medicinal Chemistry·K LiarasM Soković
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Jun 5, 2013·Bioorganic & Medicinal Chemistry Letters·Kui ChengHai-Liang Zhu
Jul 10, 2013·European Journal of Medicinal Chemistry·N C DesaiAmit Trivedi

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Citations

Apr 1, 2021·Arhiv za higijenu rada i toksikologiju·Aleksandra BogdanovićSlobodan Petrović

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Methods Mentioned

BETA
NMR

Software Mentioned

FlexX
GOLD
LigPrep
AutoDock
FRED
DOCK
Vina
GLIDE
Schrodinger
Protein Preparation Wizard

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