Evaluation of anxiolytic, sedative, and antioxidant activities of Vitex peduncularis Wall. leaves and investigation of possible lead compounds through molecular docking study

Abstract

Vitex peduncularis, belongs to the Verbenaceae family, locally known as ‘Boruna’, ‘Horina’, ‘Ashmul gaas’, is commonly used for treating various chronic diseases in the folk medicine such as malarial fevers, jaundice, diabetes, chest pain, joint ache, abnormality in eyes & face, and urethritis, etc. In the present study, we investigated the anxiolytic, sedative, and antioxidant activities of ethanol extract of V. peduncularis leaves (EEVP) in both in vivo and in vitro models. Then, a molecular docking analysis was carried out to determine the possible lead compounds of EEVP for the biological properties described above. The anxiolytic and sedative activity of EEVP was determined using hole board and hole cross tests, respectively. Antioxidant activity was measured using DPPH and FRPA assays, whereas docking was done by using the Schrödinger suite (Maestro v10.1). Our result demonstrated that EEVP has significant and dose-dependent anxiolytic and sedative activity at the doses of 200 and 400 mg/kg (b.w.) in both models. This study also exhibited that EEVP has significant antioxidant activity compared to reference standard ascorbic acid. The molecular docking study revealed that 3,4-dihydroxybenzoic acid, 4-hydroxybenzoic acid, and vitexilactone have the best binding affinities against the target receptors (potassium channel receptor, human gamma-aminobutyric acid receptor, and human peroxiredoxin 5) for anxiolytic, sedative, and antioxidant activities. The present study confirmed that EEVP has anxiolytic, sedative, and antioxidant properties, which could be because of the occurrence of various phytochemicals and three bioactive phytocompounds which found potential during molecular docking analysis.

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Abbreviations

EEVP:

Ethanol extract of Vitex peduncularis leaves

CNS:

Central nervous system

PDB:

Protein Data Bank

RMSD:

Root-mean-square deviation

OPLS:

Optimized potentials for liquid simulations

SPSS:

Statistical package for the social sciences

ANOVA:

Analysis of variance

SEM:

Standard error mean

R.T:

Room temperature

R.H:

Relative humidity

b.w.:

Body weight

FRPA:

Ferric reducing power activity

DPPH:

1,1 Diphenyl-1-picrylhydrazyl

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Acknowledgements

The authors are grateful to the Department of Pharmacy, International Islamic University Chittagong, Bangladesh, and also thankful to GUSTO A Research Group for their kind help. We are also thankful to Dr. Shaikh Bokhtear Uddin for his kind co-operation in the identification of this plant.

Funding

This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors.

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Authors

Contributions

RBJA, MNUC, and MA conceived and designed the experiments. RBJA, MNUC, MA, AP, MRC, IJ, MRT, MS, NC, and SH carried out experimental works, collected data, and wrote the original draft. RBJA, MNUC, and MA analyzed and interpreted experimental results and wrote the final draft. MNUC, MRC, AP, TD, SSI, and MIHS performed the molecular docking and wrote the relevant potions. MNUC and MA furnished the designing of the work, checked the experimental results, and drafted the final manuscript. This work was carried out in collaboration between all authors. All authors read and approved the final manuscript.

Corresponding author

Correspondence to Md. Adnan.

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Ethical statement

This study was performed based on the internationally accepted principle for the proper use of laboratory animals’ viz. International Council for Laboratory Animal Science (ICLAS) and National Institutes of Health (NIH). This study protocol (Pharm-P&D-61/08’16-129) was approved by the “P&D committee” of the Department of Pharmacy, International Islamic University Chittagong, Chittagong 4318, Bangladesh.

Conflict of interest

Reedwan Bin Jafar Auniq has no conflict of interest. Md. Nazim Uddin Chy has no conflict of interest. Md. Adnan has no conflict of interest. Md. Riad Chowdhury has no conflict of interest. Trishala Dutta has no conflict of interest. Sadab Sipar Ibban has no conflict of interest. Israt Jahan has no conflict of interest. Marzia Rahman Tona has no conflict of interest. Mutakabrun Shima has no conflict of interest. Md. Imtiajul Habib Sawon has no conflict of interest. Nishan Chakrabarty has no conflict of interest. Shakawat Hossain has no conflict of interest. Arkajyoti Paul has no conflict of interest.

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Auniq, R.B.J., Chy, M.N.U., Adnan, M. et al. Evaluation of anxiolytic, sedative, and antioxidant activities of Vitex peduncularis Wall. leaves and investigation of possible lead compounds through molecular docking study. ADV TRADIT MED (ADTM) (2020). https://doi.org/10.1007/s13596-020-00461-7

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Keywords

  • Vitex peduncularis
  • Anxiolytic
  • Sedative
  • Antioxidant activity
  • Molecular docking