Exploration of Neuroscience

Table 2. ADME predictions of lime leaf alkaloid rich extract phytoconstituents.

S/N	Ligand	PubChem ID	MW	MR	TPSA (Å²)	LogP	ESOL LOGS	ESOL CLASS	GA	BBB	P-GP	CYPs inhibitor	LogKP (CM/S)	BS	SA
1.	Pyrazine trimethyl	26808	122.17 g/mol	36.93	25.78 Å²	1.73	–1.69	Very soluble	High	Yes	No	None	–6.37 cm/s	0.55	1.73
2.	Tyramine	5610	137.18 g/mol	40.95	46.25 Å²	1.36	–1.70	Very soluble	High	Yes	No	None	–6.36 cm/s	0.55	1.00
3.	6-Methylnicotinic acid	137860	137.14 g/mol	36.16	50.19 Å²	0.68	–1.56	Very soluble	High	Yes	No	None	–6.58 cm/s	0.85	1.23
4.	Phenol 4-[2-(methylamino) ethyl	9727	151.21 g/mol	45.85	32.26 Å²	1.57	–2.00	Very soluble	High	Yes	No	None	–6.08 cm/s	0.55	1.00
5.	Octopamine	4581	153.18 g/mol	42.11	66.48 Å²	0.20	–0.49	Very soluble	High	No	No	None	–7.87 cm/s	0.55	1.35
6.	Hordenine	68313	165.23 g/mol	50.75	23.47 Å²	1.82	–2.35	Soluble	High	Yes	No	CYP1A2 inhibitor	–5.83 cm/s	0.55	1.00
7.	Quinoline 4-methoxy-	72145	500.54 g/mol	135.19	110.94 Å²	3.10	–4.96	Moderately soluble	High	No	No	CYP2C19 inhibitor	–6.76 cm/s	0.55	4.94
8.	Pyridine 3-(1-methyl-2-pyrrolidinyl)-(S)	89594	162.23 g/mol	53.13	16.13 Å²	1.48	–1.89	Very soluble	High	Yes	No	None	–6.46 cm/s	0.55	2.05
9.	Synephrine	7172	167.21 g/mol	47.01	52.49 Å²	0.55	–0.66	Very soluble	High	No	No	None	–7.76 cm/s	0.55	1.48
10.	2-Norbornanamine N-ethyl-3-phenyl	14584	215.33 g/mol	68.44	12.03 Å²	3.20	–3.27	Soluble	High	Yes	No	CYP2D6 inhibitor	–5.34 cm/s	0.55	3.42
11.	Citracridone I	5487591	353.37 g/mol	101.63	80.92 Å²	2.88	–4.57	Moderately soluble	High	No	No	CYP1A2 inhibitor	–5.96 cm/s	0.55	3.51

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Declarations

Acknowledgments

The authors gratefully acknowledge the contribution of Dr Ajayi Babajide towards the purchase of scopolamine hydrobromide trihydrate.

Author contributions

OHO: Conceptualization, Project administration, Formal analysis, Writing—original draft. AAA: Methodology, Formal analysis, Investigation. VOO: Formal analysis, Investigation, Data curation. OPIO: Writing—original draft, Data curation. KAO: Formal analysis, Investigation, Validation. CDF: Data curation, Formal analysis, Methodology. AOA: Formal analysis, Data curation, Validation. OI: Conceptualization, Supervision. All authors reviewed, edited, and approved the final manuscript.

Conflicts of interest

The authors declare that they do not have any conflicts of interest.

Ethical approval

All international, national, and/or institutional guidelines for the care and the use of laboratory animals were strictly followed. The experimental methods were approved by the Research Ethics Committee for animal experimentation of the Faculty of Science, (FUOYE) with ethical approval number, FUOYEFSC 201122 – REC2023/013.

Consent to participate

Not applicable.

Consent to publication

Not applicable.

Availability of data and materials

Datasets are available on request.

Funding

This research did not receive any funds, grants, or support from any organisation.

Copyright

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Open Exploration maintains a neutral stance on jurisdictional claims in published institutional affiliations and maps. All opinions expressed in this article are the personal views of the author(s) and do not represent the stance of the editorial team or the publisher.

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