Phytochemical compounds of Morus alba as anti-aging agent towards in silico binding to matrix metalloproteinase proteins

Original Research

Abstract

Skin aging is a natural phenomenon which is related to progressive loss of skin structural integrity and physiological function and affects aesthetics which has been of highly interest. Inhibition of matrix metalloproteinases (MMPs) such as MMP-1, MMP-3, MMP-9 is one of the potential approaches for anti-aging treatment as these targets are involved in molecular pathology to skin aging process from sunlight. The aim of the study was to investigate the binding affinity of 9 phytochemical compounds extracted from Morus alba Moraceae into the MMP enzymes leading to potential anti-aging activity by using in silico approaches including molecular docking and molecular dynamics simulations. All the compounds showed binding abilities into the targets. In particular, mulberrofuran H obtained the best docking results on the three MMPs. Molecular dynamics simulations of the complex of  mulberrofuran H and MMP-9 showed that this complex was stable. Combination of molecular docking and molecular dynamics simulations results, there was an important hydrophobic interaction between mulberrofuran H and His401 at the active site of the MMP-9, which determined the MMP-9 inhibitory potential of mulberrofuran H. The ligand mulberrofuran H was also stabilized into the MMP-9 protein by hydrogen bonds with Pro421 with the high occupancy of 77.67%. These results demonstrated the good binding of mulberrofuran H on the protein MMP-9 which highlighted its anti-aging potency.

Graphical abstract

Botanical, genetic characteristics and preliminary screening of the phytochemical constituents of Hydnophytum formicarum Jack. in Phu Quoc forest, Vietnam

Original Research

Abstract

In Vietnamese folk medicine, Bi ky nam (H. formicarum) tuber has been widely used to treat rheumatism, liver and intestinal diseases. This work aimed to study botanical, genetic characteristics and screening of the phytochemical constituents of wild H. formicarum of Phu Quoc Island, Vietnam. Anatomical characteristics of the plant material were described. Fresh leaves were used to analyze DNA barcodes based on rbcL region amplified by PCR. Sequences of DNA products were identified by Sanger method and BioEdit 7.0.5 software, then compared to the control rbcL sequences published in GenBank by BLAST. The tuber powder was studied for pharmacognostic parameters, preliminary phytochemical screening and total phenolic contents by Folin-Ciocalteu method. Results showed that the similarity between the rbcL sequences of H. formicarum leaves collected in Phu Quoc and the control one published in Genbank was 99%. Moisture content, total ash value and acid insoluble ash value of dried tuber powder were 11.06%, 9.60% and 0.70%, respectively. Raw material contained carotenoids, triterpenoids, flavonoids, phenolics, tannins, saponins, reducing substances and amino acids. Total phenolics content was about 58.847 mg pyrrogallol equivalent/g dried powder weight. Our results provided information about botanical, genetic and preliminary phytochemical characteristics of H. formicarum growing on Phu Quoc Island. This could be useful for the authentication of H. formicarum as a medicinal material.

Graphical abstract

Phytochemical Screening and Total Phenolics and Flavonoids Contents of Hibiscus Rosa Sinensis. L Cultivated in Viet Nam

Original Research

Abstract

Background: Phenolics and flavonoids are regarded as the highest potential of chemotherapeutic activities. This investigation was carried out to evaluate phytochemical and total phenolics content (TPC) and total flavonoids content (TFC) and Fourier-transform infrared spectroscopy (FTIR) spectral analysis of Hibiscus Rosa Sinensis L. extracts (crude extract, n-hexane extract, ethyl acetate extract, and methanol extract) for further applications in pharmaceutical development.

Method: Total phenolics were estimated by Folin-Ciocalteu method; while, Aluminum chloride was employed to quantify total flavonoids in the sample extracts. And, functional groups of Hibiscus Rosa Sinensis compound was determined using a FTIR-spectrophotometer.  

Result: Results showed the leaves extracts to encompass the high amount of total phenolic and total flavonoid content. TPC values for crude extract, methanol extract, ethyl acetate extract and n-hexane extract were 57.09 ± 0.35 mg/g, 70.98 ± 0.03 mg/g, 21.31 ± 0.01 mg/g, and 18.45 ± 0.003 mg/g as gallic acid equivalent, respectively. Crude extract, methanol extract, ethyl acetate extract and n-hexane extract showed total flavonoids 26.87 ± 0.01 mg/g, 21.08 ± 0.03 mg/g, 21.70 ± 0.001 mg/g, 14.95 ± 0.02 mg/g as rutin equivalent. FTIR spectra of four extracts were comparable and showed the presence of nitro compounds and ring aromatic compounds.  

Conclusion: Our results indicate the potential of exploiting Hibiscus Rosa Sinensis leaves as a source of chemotherapeutic compounds, and it is worthy doing further researches on isolated bioactive compounds for developing novel functional foods or new drugs.

 

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