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In Silico Research · Natural Products
A new study from Al-Hikmah University combines solvent partitioning, network pharmacology, and molecular docking to decode the pharmacological mechanisms behind Thespesia garckeana — the beloved “Goron Tula” fruit long prized in Northern Nigerian tradition.
📅 Published 27 December 2025📰 Natural Product Research (Taylor & Francis)
🔬 DOI: 10.1080/14786419.2025.2605670
PhytochemistryMolecular DockingNetwork PharmacologyFemale Sexual HealthNatural ProductsAfrican Ethnomedicine
From Hausa Tradition to Scientific Evidence
For generations, communities across Northern Nigeria have consumed the fruit pulp of Thespesia garckeana -widely known as Goron Tula– as a natural aphrodisiac and fertility enhancer. While the folk reputation of this tree fruit is well-established, the molecular basis for its effects on female sexual health has remained poorly understood.
That gap is now beginning to close. A multidisciplinary team led by researchers from Al-Hikmah University, Ilorin, has published a landmark study in Natural Product Research that uses a trio of modern approaches — solvent partitioning, network pharmacology, and molecular docking — to systematically map the bioactive compounds in the fruit pulp and reveal how they interact with key neurohormonal targets in the body.
“The findings highlight Thespesia garckeana’s potential in female sexual health, with Quercetin and Kaempferol notably influencing key neurohormonal proteins and signalling pathways.”
– Asinmi et al., Natural Product Research, 2025
The Research Approach: Three Tools in One Study
The study’s innovative design sets it apart from single-method analyses. The team began by extracting the fruit pulp with water, then used sequential solvent–solvent partitioning with n-hexane, ethyl acetate, and n-butanol to separate compounds by their chemical polarity. Each fraction was then tested in female rat models for its effect on mating behaviour indices.
The aqueous residue fraction -the most water-soluble component- produced the most striking improvement in mating behaviour, a remarkable 83% increase, far outperforming all other fractions. This pointed clearly toward water-soluble bioactives as the primary drivers of the plant’s effects, a finding that is somewhat unusual, given that most solvent partitioning studies in natural products research find activity concentrated in the n-hexane or ethyl acetate fractions.
The bioactive compounds in that high-performing aqueous fraction were then identified using HPLC analysis, and their interactions with disease-related molecular targets were explored computationally through network pharmacology and molecular docking.
What’s Inside the Fruit? Key Compounds Identified
HPLC profiling of the aqueous residue fraction revealed twelve phytochemicals spanning multiple chemical classes:
Quercetin: Flavonoid
Kaempferol: Flavonoid
Gallic Acid: Phenolic Acid
Caffeic Acid: Phenolic Acid
Ferulic Acid: Phenolic Acid
Rutin Hydrate: Glycoside
Naringin: Flavanone
Tannic Acid: Tannin
Salicylic Acid: Phenolic Acid
Maleic Acid: Organic Acid
p-Coumaric Acid: Phenolic Acid
Saponins: Glycoside
Eight of these compounds — quercetin, kaempferol, gallic acid, caffeic acid, ferulic acid, maleic acid, salicylic acid, and p-coumaric acid — fully satisfied Lipinski’s Rule of Five, the standard benchmark used to predict whether a compound is likely to be orally bioavailable as a drug. Tannic acid, rutin hydrate, and naringin had violations due to their larger molecular size and high hydrogen bond counts.
Gallic Acid, Quercetin & Kaempferol: The Stars of the Show
Among all compounds identified, three stood out for their target-binding profiles. Gallic acid exhibited the broadest reach, successfully binding to seven distinct molecular targets including both oestrogen receptors (ESR1 and ESR2), monoamine oxidase A (MAOA), the corticotropin releasing hormone receptor (CRHR1), and cannabinoid receptor 2 (CNR2). This multi-target activity suggests that gallic acid could simultaneously modulate oestrogen signalling, stress responses, and mood, all of which influence female sexual behaviour.
But it was quercetin and kaempferol that produced the most impressive molecular docking results. The table below summarises their binding affinities to key receptors:
| Target Receptor | Biological Role | Quercetin (kcal/mol) | Kaempferol (kcal/mol) |
|---|---|---|---|
| CNR2 (Cannabinoid Receptor 2) | Mood, anxiety, sexual pleasure | −11.778 | −10.897 |
| ESR2 (Oestrogen Receptor 2) | Oestrogen signalling, sexual proceptivity | −10.377 | −9.499 |
| SLC6A3 (Dopamine Transporter) | Dopamine availability, arousal | — | −10.737 |
| HTR2C (Serotonin Receptor 2C) | Mood regulation, sexual desire | −9.477 | −8.360 |
| HTR3A (Serotonin Receptor 3A) | Serotonergic signalling | −8.602 | — |
| CRHR1 (CRH Receptor 1) | Stress response, cAMP signalling | −8.629 | −7.946 |
| GRM2 (Glutamate Receptor 2) | Glutamatergic synapse function | −7.368 | — |
More negative binding energy values indicate stronger, more stable binding. The exceptionally strong binding of quercetin to CNR2 at −11.778 kcal/mol is particularly noteworthy — the endocannabinoid system, of which CNR2 is a key component, plays an established role in regulating mood, anxiety, and sexual pleasure.
What Do These Interactions Mean?
Taken together, the findings point to a multi-pathway mechanism through which T. garckeana compounds might support female sexual health. The plant’s phytochemicals appear to act across at least four neurohormonal systems simultaneously:
Oestrogen signalling: Through strong binding to ESR1 and ESR2, quercetin and kaempferol may function as phytoestrogens, partially mimicking or modulating the body’s natural oestrogen activity. This is particularly relevant for women experiencing oestrogen-related sexual dysfunction.
The dopamine system: Kaempferol’s high affinity for SLC6A3, the dopamine transporter, suggests it could influence dopamine availability in the brain, a key driver of arousal and motivation.
The serotonin system: Interactions with HTR2C and HTR3A suggest these compounds may modulate serotonergic pathways involved in mood and desire, potentially in a similar fashion to existing serotonin-targeted antidepressants used off-label for sexual dysfunction.
Stress and the endocannabinoid system: Binding to CRHR1 and CNR2 suggests the compounds may also address the stress and anxiety components of sexual dysfunction, supporting a sense of calm and rewarding perception.
Why This Research Matters for Africa
Female sexual dysfunction affects a significant proportion of women globally and remains under-researched and undertreated, particularly in Africa. This study exemplifies how African ethnomedicinal knowledge, validated by rigorous computational and experimental science, can be a genuine source of new therapeutic leads. The work also demonstrates that in silico tools like molecular docking, when combined with careful phytochemical profiling, can accelerate the translation of traditional plant use into credible pharmacological science.
Limitations and Next Steps
The authors are careful to contextualize their findings appropriately. The molecular docking results represent predicted, computational interactions, not clinical proof of efficacy. The in vivo data in rats confirms biological activity of the fractions, but the specific contributions of individual compounds still need to be confirmed through further isolation and bioassay work. Clinical studies in humans would be necessary before any therapeutic claims could be made.
Future research directions suggested by the study include isolating and testing individual compounds “particularly quercetin and kaempferol” in targeted in vitro receptor assays, as well as investigating possible synergistic interactions between the multiple phytochemicals present in the fruit pulp.
Lead Author
Muhammed Robiu Asinmi
Department of Biological Sciences (Biochemistry Unit), Al-Hikmah University, Ilorin, Nigeria
Co-authored with Falana, Elemosho, Dikwa, Adelagun, Akanji and Nurudeen (corresponding author)
Full Citation Asinmi, M. R., Falana, M. B., Elemosho, A. O., Dikwa, M. A., Adelagun, A. A. Akanji, M. A. and Nurudeen, Q. O. (2025). Integrating Solvent Partitioning with Network Pharmacology and Molecular Docking Reveals the Multi-target Pharmacological Mechanism of Thespesia garckeana in Female Sexual Health. Natural Product Research. 1 – 10. Published by Taylor & Francis. [Available on the internet https://doi.org/10.1080/14786419.2025.2605670].
