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Phytoestrogen Activity of Alkaloid Compounds of Butterfly Pea (Clitoria ternatea) Using In Silico Analysis Fitriyah, Fitriyah; Ramadhani, Anggia Noor
El-Hayah:Jurnal Biologi Vol 9, No 4 (2024): EL-HAYAH (VOL 9, NO 4 Maret 2024)
Publisher : Program Study of Biology, Science and Technology Faculty, UIN Maulana Malik Ibrahim Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/elha.v9i4.24210

Abstract

Estrogen is a hormone that plays a role in sexual and reproductive development, especially in women. Estrogen is not only important for reproduction, but also in other systems such as the cardiovascular system, neuroendocrine system, immune system and muscoskeletal system in men and women. The absence of estrogen during the menopause phase is a leading factor in the onset of cardiovascular disease. Phytoestrogens are polyphenolic and non-steroidal compounds that have a structure and biological activity similar to 17β-estradiol in humans. Most phytoestrogens are found in flavonoids, isoflavones and also alkaloids whose esterogenic potential has not been widely explored. Butterfly Pea (Clitoria ternatea) is a type of wild creeping plant from the Fabaceae family which contains a number of active ingredients, including alkaloids. This research aims to determine the active compounds derived from Butterfly Pea (Clitoria ternatea) alkaloids which have the best potential as phytoestrogens using the insilico method. A number of ligands which are active compounds derived from alkaloids in Butterfly Pea are linked to estrogen alpha as a receptor using molecular docking. The research results of the six alkaloid derivative compounds found in the leaves, flowers and seeds tested showed that Cephalotaxinone was the most effective compound to be used as a phytoestrogen candidate
Active compounds of fingerroot (Boesenbergia pandurata) for obesity treatment: in silico approaches Yuniarto, Ari; Aji, Abdul; Ramadhani, Anggia Noor; Permatasari, Galuh Wening
MPI (Media Pharmaceutica Indonesiana) Vol. 4 No. 1 (2022): JUNE
Publisher : Fakultas Farmasi, Universitas Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24123/mpi.v4i1.4807

Abstract

Obesity has become increasingly prevalent worldwide each year. Several studies have proven that herbs are effective in preventing obesity. The research delved into the active compounds of Boesenbergia pandurata to reveal their mechanisms of action by utilizing bioinformatics approaches. The research methods included active compounds selection, QSAR analysis, networking analysis, molecular docking, and ADME prediction. The QSAR analysis predicted that the active compounds were correlated with some theoretical activities with more than 0.5 probability, namely vasoprotective, anti-hypercholesterolemic, anti-inflammatory, free radical scavenging, and as a lipid metabolism regulator and TNF expression inhibitor. Furthermore, the results of the networking analysis showed that five compounds (pinocembrin, cardamonin, flavokawain B, flavokawain C, and tectochrysin) had direct interactions with RPS6KB1. Pinocembrin exhibited the highest binding affinityof -7.26 kcal/mol, although not as strong as that of the control ligand (FS9). The ADME prediction indicated that the five compounds were non-toxic and had excellent absorption. It can be concluded that the active compounds of B. pandurata have the ability to improve metabolic syndrome, especially obesity, in silico through several mechanisms, such as suppression of pro-inflammatory cytokine, regulation of lipid metabolism, and those associated with antioxidants.