Open AccessSwissADME predictions of pharmacokinetics and drug-likeness properties of small molecules present in Spirulina platensis
Author(s) -
Putut Har Riyadi,
Romadhon Romadhon,
I D Sari,
R A Kurniasih,
Tri Winarni Agustini,
Fronthea Swastawati,
Vivi Endar Herawati,
Wendy Alexander Tanod
Publication year - 2021
Publication title -
iop conference series. earth and environmental science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 26
eISSN - 1755-1307
pISSN - 1755-1315
DOI - 10.1088/1755-1315/890/1/012021
Subject(s) - spirulina (dietary supplement) , adme , chemistry , antioxidant , chromatography , stearic acid , organic chemistry , biochemistry , in vitro , raw material
Spirulina platensis is a microalga that is easy to cultivate. Spirulina platensis contains high antioxidants sourced from chemical compounds. Antioxidants can protect against oxidative stress and degenerative diseases. This study aimed to evaluate the chemical profiles of S. platensis using Gas Chromatography-Mass Spectrometry (GC-MS) and predict its biological activity using computational analysis (Absorption, Distribution, Metabolism, Excretion) using SwissADME. The GC-MS analysis of S. platensis extracts yielded twenty-four compounds. Spirulina platensis extracts contain twelve compounds with percentage more than 1%, namely Dodecanoic acid, ethyl ester (27.71%); Ethyl linoleate (19.47%); Octadecenamide (10.99%); Octadecane (9.02%); Methyl gamma-linolenoate (8.04%); 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]- (6.92%); Neophytadiene (3.21%); Hexadecanoic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (2.68%); Ethyl 9-hexadecenoate (2.05%); 9-Octadecenoic acid (Z)- (1.47%); 3,7,11,15-Tetramethyl-2-hexadecen-1-ol (1,44%); 9-Octadecenamide (1.15%); and 2-Hexadecene, 3,7,11,15-Tetramethyl-2-hexadecene- 1-ol (1%). The dominant compound was dodecanoic acid, ethyl ester. The potential biological activity of dodecanoic acid, ethyl ester, is antimicrobial, antioxidant, anti-cancer, anti-candida, mycelial growth inhibition. All compounds in the extract of S platensis met the druglikeness according to Lipisnki’s rules using SwissADME. SwissADME emerged to be simple, robust and accurate method to understand the ADME properties of the compounds present in Spirulina platensis phytoconstituents. The ADME analysis results indicated that S. platensis extracts could be developed as traditional medicine and nutraceutical products.