About Bioline  All Journals  Testimonials  Membership  News

Tropical Journal of Pharmaceutical Research
Pharmacotherapy Group, Faculty of Pharmacy, University of Benin, Benin City, Nigeria
ISSN: 1596-5996
EISSN: 1596-5996
Vol. 14, No. 4, 2015, pp. 635-639
Bioline Code: pr15083
Full paper language: English
Document type: Research Article
Document available free of charge

Tropical Journal of Pharmaceutical Research, Vol. 14, No. 4, 2015, pp. 635-639

 en In silico Assessment of Drug-like Properties of Alkaloids from Areca catechu check for this species in other resources L Nut
Peng, Wei; Liu, Yu-Jie; Zhao, Chong-Bo; Huang, Xue-Si; Wu, Na; Hu, Mei-Bian; Xie, Da- Shuai & Wu, Chun-Jie


Purpose: To investigate in silico the drug-like properties of alkaloids (arecoline, arecaidine, guvacine, guvacoline, isoguvacine, arecolidine and homoarecoline) obtained from the fruits of Areca catechu check for this species in other resources L (areca nut).
Methods: All chemical structures were re-drawn using Chemdraw Ultra 11.0. Furthermore, software including Bio-Loom for Windows - version 1.5, Molinspiration Property Calculator and ACD/I-LAB service were used to predict the drug-like properties of the alkaloids, including relative molecular mass (MW), partition coefficient log P (cLog P), number of hydrogen bond donors (HBD), number of hydrogen bond acceptors (HBA), topological polar surface area (TPSA), number of rotatable bonds (NROTB), pKa, and aqueous solubility at a given pH (LogS). In addition, Lipinski’s rule was used to evaluate druglike properties.
Results: From our research, MWs of the seven compounds were all < 500. HBD and cLog P values of the seven compounds were all < 5, and HBA values were all < 10. In addition, TPSA value of each compound was < 60 Å2, and NROTB value was < 10. Besides, pKa values of the seven alkaloids were > 7.5; furthermore, they possess good solubility at pH 1.0, 5.0, and 7.0.
Conclusion: All the seven alkaloids possess good drug-like properties, and demonstrated good oral absorption and bioavailability. The results also suggest that these compounds can be further developed into new oral drugs for treating certain diseases.

Areca catechu L; Areca nut; Drug-like properties; Alkaloids; Arecoline; Arecaidine; Guvacine; Guvacoline; Isoguvacine; Arecolidine; Homoarecoline; In silico

© Copyright 2015 - Tropical Journal of Pharmaceutical Research
Alternative site location:

Home Faq Resources Email Bioline
© Bioline International, 1989 - 2024, Site last up-dated on 01-Sep-2022.
Site created and maintained by the Reference Center on Environmental Information, CRIA, Brazil
System hosted by the Google Cloud Platform, GCP, Brazil