Insights into the interaction of potent antimicrobial chalcone triazole analogs with human serum albumin: spectroscopy and molecular docking approaches

Yadav

J of Molecular Recognition

et al. 2020

Self Cite

The interaction of triazole substituted 4-methyl-7-hydroxycoumarin derivatives (CUM1-4) with serum albumin (bovine serum albumin [BSA] and human serum albumin[HSA]) have been studied employing ultraviolet-visible (UV-Vis), fluorescence, circular dichroism (CD) spectroscopy, and molecular docking methods at physiological pH 7.4.The fluorescence quenching occurred with increasing concentration of CUMs, and the binding constant of CUM derivatives with BSA and HSA obtained from fluorescence quenching experiment was found to be~10 4 L mol −1 . CD study showed conformational changes in the secondary structure of serum albumin upon titration of CUMs.The observed experimental results were further validated by theoretical studies involving density functional theory (DFT) and molecular docking. K E Y W O R D S circular dichroism, coumarin, fluorescence quenching, molecular docking, serum albumin

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Interaction of coumarin triazole analogs to serum albumins: Spectroscopic analysis and molecular docking studies

Yadav

J of Molecular Recognition

et al. 2020

Self Cite

“…great attention due to their extensive biological properties such as antioxidant, [5] antifungal, [6,7] antitubercular, [8] antibacterial, [9] anticancer, [10] anti-HIV, [11] antimicrobial, [12] and antimalarial activity. [13] The 1,4-disubstituted-1,2,3-triazoles were synthesized via coppercatalyzed azide-alkyne cycloaddition reaction, well known as a click chemistry reaction.…”

Section: Diversely Functionalized 123-triazole Derivatives Have Attmentioning

confidence: 99%

New N‐phenylacetamide‐linked 1,2,3‐triazole‐tethered coumarin conjugates: Synthesis, bioevaluation, and molecular docking study

Akolkar

Nagargoje

Shaikh

et al. 2020

Archiv der Pharmazie

A series of new 1,2,3-triazole-tethered coumarin conjugates linked by N-phenylacetamide was efficiently synthesized via the click chemistry approach in excellent yields. The synthesized conjugates were evaluated for their in vitro antifungal and antioxidant activities. Antifungal activity determination was carried out against fungal strains such as Candida albicans, Fusarium oxysporum, Aspergillus flavus, Aspergillus niger and Cryptococcus neoformans. Compounds 7b, 7d, 7e, 8b and 8e displayed higher potency than the standard drug miconazole, with lower minimum inhibitory concentration values. Also, compound 7a exhibited potential radical scavenging activity as compared with the standard antioxidant butylated hydroxytoluene. In addition, a molecular docking study of the newly synthesized compounds was carried out, and the results showed a good binding mode at the active site of the fungal (C. albicans) P450 cytochrome lanosterol 14α-demethylase enzyme. Furthermore, the synthesized compounds were also tested for ADME properties, and they demonstrated potential as good candidates for oral drugs.

“…To exclude the uorescence quenching caused by inner-lter effect, we used the following formula for correction: 16,17 F corr ¼ F obs Â e (Aex+Aem)/2…”

Section: Steady-state Uorescence Spectroscopymentioning

confidence: 99%

Characterizing the interaction between methyl ferulate and human serum albumin by saturation transfer difference NMR

et al. 2020