Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study

Abstract Background Polycystic ovary syndrome (PCOS) is a chronic endocrine disorder prevalent in premenopausal women and is characterized by a range of physiological and biochemical abnormalities which may include reproductive, endocrine, and metabolic alterations such as insulin resistance. Insuli...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Fehintoluwa Joy Femi-Olabisi, Ahmed Adebayo Ishola, Opeyemi Faokunla, Anthonia Oluyemi Agboola, Benjamin Ayodipupo Babalola
Formato:	article
Lenguaje:	EN
Publicado:	SpringerOpen 2021
Materias:	Polycystic ovary syndrome (PCOS) PEPCK α-amylase β-glucosidase FBPase GC-MS Biotechnology TP248.13-248.65 Genetics QH426-470
Acceso en línea:	https://doaj.org/article/bbf1abbe756740149228904702ad512e
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:bbf1abbe756740149228904702ad512e
record_format	dspace
spelling	oai:doaj.org-article:bbf1abbe756740149228904702ad512e2021-11-28T12:29:56ZEvaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study10.1186/s43141-021-00276-22090-5920https://doaj.org/article/bbf1abbe756740149228904702ad512e2021-11-01T00:00:00Zhttps://doi.org/10.1186/s43141-021-00276-2https://doaj.org/toc/2090-5920Abstract Background Polycystic ovary syndrome (PCOS) is a chronic endocrine disorder prevalent in premenopausal women and is characterized by a range of physiological and biochemical abnormalities which may include reproductive, endocrine, and metabolic alterations such as insulin resistance. Insulin resistance is the hallmark of PCOS as it predisposes the affected subjects to a higher risk of impaired glucose tolerance and type 2 diabetes mellitus (T2DM). In this study, the inhibitory activities of phytosterols and saccharides from aqueous extract of Costus spicatus rhizome were investigated against phosphoenolpyruvate carboxykinase (PEPCK), α-amylase, β-glucosidase, and fructose 1,6-biphosphatase (FBPase) in silico as potential novel therapeutic targets for T2DM-associated-PCOS. Phytochemical constituents of the plant were determined using gas chromatography-mass spectrophotometry (GC-MS), while molecular docking of the compounds with PEPCK, α-amylase, β-glucosidase, and FBPase was conducted using Vina. Thereafter, the binding modes were determined using Discovery Studio Visualizer, 2020. Results GCMS analysis of an aqueous extract of Costus spicatus rhizome revealed the presence of three compounds with a higher binding affinity for all enzymes studied compared to metformin. The compounds also interacted with key amino acid residues crucial to the enzyme’s activities. This study identified Lyxo-d-manno-nononic-1,4-lactone as potential multi-target inhibitors of PEPCK, α-amylase, β-glucosidase, and FBPase with reasonable pharmacokinetic properties and no significant toxicity. Conclusion These compounds can be explored as potential therapeutic agents for the management of insulin resistance in PCOS, subject to further experimental validation.Fehintoluwa Joy Femi-OlabisiAhmed Adebayo IsholaOpeyemi FaokunlaAnthonia Oluyemi AgboolaBenjamin Ayodipupo BabalolaSpringerOpenarticlePolycystic ovary syndrome (PCOS)PEPCKα-amylaseβ-glucosidaseFBPaseGC-MSBiotechnologyTP248.13-248.65GeneticsQH426-470ENJournal of Genetic Engineering and Biotechnology, Vol 19, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Polycystic ovary syndrome (PCOS) PEPCK α-amylase β-glucosidase FBPase GC-MS Biotechnology TP248.13-248.65 Genetics QH426-470
spellingShingle	Polycystic ovary syndrome (PCOS) PEPCK α-amylase β-glucosidase FBPase GC-MS Biotechnology TP248.13-248.65 Genetics QH426-470 Fehintoluwa Joy Femi-Olabisi Ahmed Adebayo Ishola Opeyemi Faokunla Anthonia Oluyemi Agboola Benjamin Ayodipupo Babalola Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
description	Abstract Background Polycystic ovary syndrome (PCOS) is a chronic endocrine disorder prevalent in premenopausal women and is characterized by a range of physiological and biochemical abnormalities which may include reproductive, endocrine, and metabolic alterations such as insulin resistance. Insulin resistance is the hallmark of PCOS as it predisposes the affected subjects to a higher risk of impaired glucose tolerance and type 2 diabetes mellitus (T2DM). In this study, the inhibitory activities of phytosterols and saccharides from aqueous extract of Costus spicatus rhizome were investigated against phosphoenolpyruvate carboxykinase (PEPCK), α-amylase, β-glucosidase, and fructose 1,6-biphosphatase (FBPase) in silico as potential novel therapeutic targets for T2DM-associated-PCOS. Phytochemical constituents of the plant were determined using gas chromatography-mass spectrophotometry (GC-MS), while molecular docking of the compounds with PEPCK, α-amylase, β-glucosidase, and FBPase was conducted using Vina. Thereafter, the binding modes were determined using Discovery Studio Visualizer, 2020. Results GCMS analysis of an aqueous extract of Costus spicatus rhizome revealed the presence of three compounds with a higher binding affinity for all enzymes studied compared to metformin. The compounds also interacted with key amino acid residues crucial to the enzyme’s activities. This study identified Lyxo-d-manno-nononic-1,4-lactone as potential multi-target inhibitors of PEPCK, α-amylase, β-glucosidase, and FBPase with reasonable pharmacokinetic properties and no significant toxicity. Conclusion These compounds can be explored as potential therapeutic agents for the management of insulin resistance in PCOS, subject to further experimental validation.
format	article
author	Fehintoluwa Joy Femi-Olabisi Ahmed Adebayo Ishola Opeyemi Faokunla Anthonia Oluyemi Agboola Benjamin Ayodipupo Babalola
author_facet	Fehintoluwa Joy Femi-Olabisi Ahmed Adebayo Ishola Opeyemi Faokunla Anthonia Oluyemi Agboola Benjamin Ayodipupo Babalola
author_sort	Fehintoluwa Joy Femi-Olabisi
title	Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
title_short	Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
title_full	Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
title_fullStr	Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
title_full_unstemmed	Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
title_sort	evaluation of the inhibitory potentials of selected compounds from costus spicatus (jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study
publisher	SpringerOpen
publishDate	2021
url	https://doaj.org/article/bbf1abbe756740149228904702ad512e
work_keys_str_mv	AT fehintoluwajoyfemiolabisi evaluationoftheinhibitorypotentialsofselectedcompoundsfromcostusspicatusjacqrhizometowardsenzymesassociatedwithinsulinresistanceinpolycysticovariansyndromeaninsilicostudy AT ahmedadebayoishola evaluationoftheinhibitorypotentialsofselectedcompoundsfromcostusspicatusjacqrhizometowardsenzymesassociatedwithinsulinresistanceinpolycysticovariansyndromeaninsilicostudy AT opeyemifaokunla evaluationoftheinhibitorypotentialsofselectedcompoundsfromcostusspicatusjacqrhizometowardsenzymesassociatedwithinsulinresistanceinpolycysticovariansyndromeaninsilicostudy AT anthoniaoluyemiagboola evaluationoftheinhibitorypotentialsofselectedcompoundsfromcostusspicatusjacqrhizometowardsenzymesassociatedwithinsulinresistanceinpolycysticovariansyndromeaninsilicostudy AT benjaminayodipupobabalola evaluationoftheinhibitorypotentialsofselectedcompoundsfromcostusspicatusjacqrhizometowardsenzymesassociatedwithinsulinresistanceinpolycysticovariansyndromeaninsilicostudy
_version_	1718407978775740416

Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study

Ejemplares similares