Biologically and catalytically important magnesium oxide nanoparticles (MgONPs) have been synthesised successfully in an eco-friendly mode using Annona squamosa seeds. The synthesised nanoparticles were characterised by spectroscopic analysis methods. UV-vis, XRD powder diffraction and EDX were used to confirm the nanoparticles' stability, phase identification and element content, respectively. SEM and TEM were also used to predict the size and morphology of the nanoparticles. The biogenic synthesis of MgONP has been judged for its antibacterial activity against Pactobacterium carotovorum and for its catalytic activity in the synthesis of 2-benzimidazole and has been shown to be potentially effective against pathogenic strain and in terms of catalytic activity in the formation of benzimidazole.
In this study, steroidal sitosteryl hydrogen phthalate (stigmast-5-en-3b-yl
hydrogen phthalate) was synthesized by the reaction of 3b-sitosterol and
phthalic anhydride using silica gel as a solid support under microwave
irradiation (MWI). The comparative study of microwave assisted synthesis and
conventional synthesis of the steroidal compound in a hazardous solvent
revealed that the former method provided shortened reaction times at
increased yields. The compounds obtained by the two procedures were
characterized by infrared spectroscopy, proton, carbon-13 nuclear magnetic
resonance (1H and 13C NMR) and high-resolution mass spectrometry. The
synthesized compound was screened for in vitro antifungal activity against
Aspergillus niger and Candida albicans by the Kirby-Bauer Well Diffusion
method. The synthesized compound was subjected to the molecular docking
simulation with a receptor (CYP51). The findings of the antifungal and
docking studies revealed that the synthesized sitosteryl hydrogen phthalate
could be considered as a suitable inhibitor of Lanosterol 14a-demethylase
(CYP51). In addition, the molecular docking approach was applied to design
hypothetical derivatives of sitosteryl hydrogen phthalate inhibitors against
the antifungal target and to compare findings with the binding score of the
molecular synthesized 3b-sitosteryl hydrogen phthalate.
<P>Introduction: Steroid compounds are widely distributed in nature throughout scientific history.
Living organisms such as animals and vegetables have steroids that show a significant effect on their vital
activities. Sterols are key components of all eukaryotic cell membranes.
Methods:
Steroidal compounds; 3β-oxo-[1’,3’,2’-oxathiaphos-phalidine-2’-one] stigmast-5-ene and 3β-
oxo[1`,3`,2`-dioxaphosphalidine-2`-one]-stigmast-5-ene were successfully prepared using easily
accessible 3β-hydroxy stigmast-5-ene with phosphorous oxychloride (POCl3), 2-
mercaptoethanol/ethylene glycol and triethylamine (Et3N) in dry diethyl ether. Products were obtained in
semi-solid state and characterized using physicochemical techniques.
Results:
The results of the bioassay showed that the synthesized compound containing the sulfur atom had
antibacterial activity. Molecular docking was also done in order to show in silico antibacterial activity and
to make out the probable binding mode of compound with the amino acid residues of protein.
Conclusion:
The results of the docking study showed that synthesized compound 2 had minimal binding
energy with substantial affinity for the active site.</P>
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