PMID- 34812979
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20211211
IS  - 2090-5920 (Electronic)
IS  - 1687-157X (Print)
IS  - 1687-157X (Linking)
VI  - 19
IP  - 1
DP  - 2021 Nov 23
TI  - 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.
PG  - 176
LID - 10.1186/s43141-021-00276-2 [doi]
LID - 176
AB  - 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), alpha-amylase, beta-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, alpha-amylase, beta-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, 
      alpha-amylase, beta-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.
CI  - (c) 2021. The Author(s).
FAU - Femi-Olabisi, Fehintoluwa Joy
AU  - Femi-Olabisi FJ
AD  - Biochemistry Unit, Department of Biological Sciences, Mountain Top University, 
      Prayer city, Nigeria. fehintoluwao@yahoo.com.
FAU - Ishola, Ahmed Adebayo
AU  - Ishola AA
AUID- ORCID: 0000-0002-5395-5922
AD  - Central Research Laboratory, 132B University road, Tanke, Ilorin, Kwara State, 
      Nigeria. djmedite@yahoo.com.
FAU - Faokunla, Opeyemi
AU  - Faokunla O
AD  - Department of Biochemistry, Federal University Lokoja, Lokoja, Kogi State, 
      Nigeria.
FAU - Agboola, Anthonia Oluyemi
AU  - Agboola AO
AD  - Biochemistry Unit, Department of Biological Sciences, Wesley University, Ondo, 
      Nigeria.
FAU - Babalola, Benjamin Ayodipupo
AU  - Babalola BA
AD  - Biochemistry Unit, Department of Biological Sciences, Mountain Top University, 
      Prayer city, Nigeria.
LA  - eng
PT  - Journal Article
DEP - 20211123
PL  - Netherlands
TA  - J Genet Eng Biotechnol
JT  - Journal, genetic engineering & biotechnology
JID - 101317150
PMC - PMC8611123
OTO - NOTNLM
OT  - FBPase
OT  - GC-MS
OT  - PEPCK
OT  - Polycystic ovary syndrome (PCOS)
OT  - alpha-amylase
OT  - beta-glucosidase
COIS- The authors declare that they have no competing interests.
EDAT- 2021/11/24 06:00
MHDA- 2021/11/24 06:01
PMCR- 2021/11/23
CRDT- 2021/11/23 12:25
PHST- 2021/08/18 00:00 [received]
PHST- 2021/11/06 00:00 [accepted]
PHST- 2021/11/23 12:25 [entrez]
PHST- 2021/11/24 06:00 [pubmed]
PHST- 2021/11/24 06:01 [medline]
PHST- 2021/11/23 00:00 [pmc-release]
AID - 10.1186/s43141-021-00276-2 [pii]
AID - 276 [pii]
AID - 10.1186/s43141-021-00276-2 [doi]
PST - epublish
SO  - J Genet Eng Biotechnol. 2021 Nov 23;19(1):176. doi: 10.1186/s43141-021-00276-2.