In silico and In vivo Studies of Calotropis procera leaf and root extracts on Mitochondrial-Related parameters in Wistar Rats

Authors

  • Ayobami Damilare Adisa Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • Patience Folashade Olabinri Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • Adejoke Tolulope Oyedeji Department of Biochemistry, University of Lagos, Lagos.
  • Fiyinfoluwa Demilade Ojeniyi Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • James Agboola Department of Biochemistry, Obafemi Awolowo University Ile-Ife.
  • Muinat Fehintola Zubair Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • Gbadebo Joshua Ojo Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • Leonard Ona Ehigie Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.
  • Adeola Folasade Ehigie Ladoke Akintola University of Technology Ogbomoso

DOI:

https://doi.org/10.54117/ijmds.v2i1.18

Keywords:

2‶-Oxovoruscharin, Cyclophilin D, Molecular Simulation, Mitochondrial swelling, Atpase, Malondialdehyde, Calotropis procera

Abstract

Drugs targeting Mitochondrial Membrane Permeability Transition (MMPT) pore opening are of great interest for conditions arising from apoptosis dysregulation. This study investigate MMPT pore inducing effect of Calotropis procera leaves and root extracts on mitochondrial-related parameters in the liver of healthy male Wistar rats. Extraction was done by standard methods, using Ethylacetate and Butanol solvent. Fifty–two rats weighing between 130 g - 150 g were divided into thirteen groups (n=4). Group 1 received distilled water, other groups were administered ethylacetate leaf extract (ELE), butanol leaf extract (BLE), ethylacetate root extract (ERE) and butanol root extracts (BRE). Liver Mitochondrial pore opening, mitochondrial ATPase activity and lipid peroxidation were assessed spectrophotometrically, while the interaction between human Cyclophilin D (a pore activating protein with PDB ID: 2BIT) and identified phytochemicals of Calotropis procera leaves and roots extracts were studied In-silico. Varying concentrations of the extracts induced MMPT pore opening by 6.6, 7.4 and 5.9 folds for BLE and 10.2, 7.3 and 6.4 folds for ELE at 40, 50 and 60 mg/100g bw respectively when compared with control group. Root extracts showed significant MMPT pore opening with a fold increase of 12.2, 10.1 and 20.4 for BRE and 11.37, 11.84, for ERE at at 40 , 50 and 60 mg/100g bw respectively. BLE, BRE, ELE and ERE showed increase in ATPase activities with respect to the control group. Malondialdehyde (MDA) levels as an indication of lipid peroxidation increased significantly when compared with control. Molecular docking and simulation showed the existence of stable interactions between human Cyclophilin D with phytochemicals of Calotropis procera with 2‶-Oxovoruscharin having highest binding affinity of -7.9 kcal/mol. C. procera has potential for therapeutic use for the treatment of disorders related to derangement of apoptosis.

Author Biographies

Ayobami Damilare Adisa, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.

Biochemistry Department, Masters Student

Patience Folashade Olabinri, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.

Biochemistry Department, Assistant Lecturer

Adejoke Tolulope Oyedeji, Department of Biochemistry, University of Lagos, Lagos.

Biochemistry Department, Senior Lecturer

Fiyinfoluwa Demilade Ojeniyi, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.

Biochemistry Department, PhD student

Leonard Ona Ehigie, Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomoso.

Biochemistry department, Associate Professor

Adeola Folasade Ehigie, Ladoke Akintola University of Technology Ogbomoso

Biochemistry Department, Associate Professor

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Published

2023-09-03

How to Cite

Adisa, A. D., Olabinri, P. F., Oyedeji, A. T., Ojeniyi, F. D., Agboola, . J., Zubair, M. F., Ojo, G. J., Ehigie, L. O., & Ehigie, A. F. (2023). In silico and In vivo Studies of Calotropis procera leaf and root extracts on Mitochondrial-Related parameters in Wistar Rats. IPS Journal of Molecular Docking Simulations, 2(1), 12–25. https://doi.org/10.54117/ijmds.v2i1.18

Issue

Vol. 2 No. 1 (2023): Jan-Dec

Section

Articles

License

Copyright (c) 2023 Adeola Ehigie, Damilare, Folashade, Tolulope, Demilade, James Agboola, Fehintola, Joshua, Dr Ehigie

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.