Startseite Naturwissenschaften Physicochemical assessment and insilico studies on the interaction of 5-HT2c receptor with herbal medication bioactive compounds used in the treatment of premature ejaculation
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Physicochemical assessment and insilico studies on the interaction of 5-HT2c receptor with herbal medication bioactive compounds used in the treatment of premature ejaculation

  • Charles I. Aghanwa EMAIL logo , Uche E. Ekpunobi und Adaora Ogbuagu
Veröffentlicht/Copyright: 24. Februar 2023
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Physical Sciences Reviews
Aus der Zeitschrift Physical Sciences Reviews Band 9 Heft 2

Abstract

Premature ejaculation (PE) affects one in every four men around the world, and there is no known cure for this sexual dysfunction. Many non-herbal and herbal medications are prescribed for their treatment, some of which have not been thoroughly evaluated for their efficacy and role in the body. Premature ejaculation herbal treatment medication produced in Abia State, Nigeria, were analysed for its efficacy using Fluoxetine as a compared compound, a selective serotonin reuptake inhibitor in the treatment of PE. The herbal drugs were analysed using both classical and spectroscopic methods for the determination of its proximate content, phytochemical analysis, heavy metals concentrations and bioactive compounds. The interactions with the 5-HT2c serotonin receptors were investigated using in silico computational analysis, molecular docking, and pharmacokinetic properties of the selected compounds with ADMET screening. The availability of important phytochemicals such as alkaloids, terpenoids, flavonoids, tannins, and saponins was recorded, and the proximate content values were within the recommended ranges. Heavy metals such as Pb (46 mg/kg), Cd (22 mg/kg), Ni (35 mg/kg), and Mn (132 mg/kg) were found in excess of the recommended limits. Fifty-one compounds were discovered in the herbal drug samples, which were then screened for drug-ability using the Lipinski rule. In this study, six (6) compounds with the highest binding affinities among the compounds under investigation were reported. All six compounds were found to have binding affinity scores ranging from −7.5 kcal/mol to −10.5 kcal/mol. Their interactions in the active sites of the target receptors were with amino acids residues like ASP 134, VAL 135, SER 138, VAL 208, PHE 327, VAL 354, TRY 358, PHE 328, GLY 218, ASN 331, ALA 222, and LEU 350 sharing hydrophobic and electrostatic bonds. The study predicted the ADMET properties of the compounds under investigation and discovered that some of them had good pharmacokinetic properties and CYP2C19 enzyme inhibitory potential. This research suggests that these compounds could be active ingredients in herbal medications used to treat premature ejaculation. However, after using this medication, serum concentrations of patients can be measured to further assess its efficacy.

Keywords: ADMET studies; herbal medication; molecular docking; premature ejaculation ; serotonin 5-HT2C receptor
Corresponding author: Charles I. Aghanwa, Department of Pure and Industrial Chemistry, Nnamdi Azikiwe University, Awka, Nigeria, E-mail:

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2022-10-19
Accepted: 2023-01-31
Published Online: 2023-02-24

© 2023 Walter de Gruyter GmbH, Berlin/Boston

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https://doi.org/10.1515/psr-2022-0286
Schlagwörter für diesen Artikel
ADMET studies; herbal medication; molecular docking; premature ejaculation; serotonin 5-HT2C receptor

Artikel in diesem Heft

  1. Frontmatter
  2. Reviews
  3. Topology and applications of 2D Dirac and semi-Dirac materials
  4. Landscape ecological modeling to identify ecologically significant regions in Tumkur district, Karnataka
  5. Surfactants-surface active agents behind sustainable living
  6. Ecological footprint of poultry production and effect of environment on poultry genes
  7. Fluoride in water, health implications and plant-based remediation strategies
  8. Poultry nutrition
  9. Synthesis of N-containing heterocycles in water
  10. Inorganic nanoparticles promoted synthesis of heterocycles
  11. The role of analytical chemistry in poultry science
  12. Antibiotics in avian care and husbandry-status and alternative antimicrobials
  13. Removal of heavy metals from wastewater using synthetic chelating agents
  14. Azadirachtin in the aquatic environment: Fate and effects on non-target fauna
  15. Intensification of bioprocesses with filamentous microorganisms
  16. The science of genetically modified poultry
  17. Emerging in ovo technologies in poultry production and the re-discovered chicken model in preclinical research
  18. The Cambridge structural database (CSD): important resources for teaching concepts in structural chemistry and intermolecular interactions
  19. Microbial production of lactic acid using organic wastes as low-cost substrates
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  23. Formulation of a herbal topical cream against Tinea capitis using flavonoids glycosides from Dicerocaryum senecioides and Diospyros mespiliformis
  24. Biodegradable polymers – research and applications
  25. Adsorption of trichloroacetic acid from drinking water using polyethylene terephthalate waste carbon and periwinkle shells–based chitosan
  26. The vital use of isocyanide-based multicomponent reactions (MCR) in chemical synthesis
  27. Pine bark crosslinked to cyclodextrin for the adsorption of 2-nitrophenol from an aqueous solution
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  29. A mini review on the prospects of Fagara zanthoxyloides extract based composites: a remedy for COVID-19 and associated replica?
  30. Physicochemical assessment and insilico studies on the interaction of 5-HT2c receptor with herbal medication bioactive compounds used in the treatment of premature ejaculation
  31. Horse chestnut thermoplastic starch nanocomposite films reinforced with nanocellulose
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Heruntergeladen am 25.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/psr-2022-0286/pdf
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