GC-MS Characterization and Computational Assessment of Phytochemicals in Heliotropium indicum Ethanolic Leaves Extract
Bolanle Christianah Faleye *
Department of Chemical Science, Joseph Ayo Babalola University, Ikeji-Arakeji, Ilesa, Osun State, Nigeria and Department of Biochemistry, Federal University Oye-Ekiti, Oye-Ekiti, Ekiti State, Nigeria.
Fisayo Abraham Bamisaye
Department of Biochemistry, Federal University Oye-Ekiti, Oye-Ekiti, Ekiti State, Nigeria.
Toluwase Hezekiah Fatoki
Department of Biochemistry, Federal University Oye-Ekiti, Oye-Ekiti, Ekiti State, Nigeria.
*Author to whom correspondence should be addressed.
Abstract
Heliotropium indicum (Indian heliotrope) belongs to family Boraginaceae, which has wide ethnopharmacological applications such as antiulcer, antirheumatism and anti-cholera. The aim of this study was to characterize the phytochemicals in H. indicum ethanolic leaves extract using Gas chromatography-mass spectrometry (GC-MS), and computationally assessed its pharmacokinetics profiles, molecular targets and infer overall medicinal application. The results showed twenty-nine (29) identified constituents of H. indicum in its ethanolic leaves extract from GC-MS, many of which are poorly soluble and have low gastrointestinal absorption (GIA). However, some of them are soluble with high GIA and could permeate blood brain barrier (BBB). The results showed that (+)-Isomenthol, and Ergost-22-en-3-ol are the two most active constituents of ethanolic leaves extract of H. indicum; targeting androgen receptor (AR) and transient receptor potential cation channel subfamily M member 8 (TRPM8), which have implication in prostate cancer. Thus, H. indicum plant extract is a potential anti-PCa medicinal plants. However, there is need for in vivo and in vitro studies to validate these results, hence promoting these active compounds optimization and clinical evaluations in H. indicum.
Keywords: Heliotropium indicum, GC-MS phytochemicals, ethanolic extract, target prediction, molecular docking, prostate cancer