Nature is the best source of anti-inflammatory drugs: indexing natural products for their anti-inflammatory bioactivity

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dc.contributor.authorAswad, Miran
dc.contributor.authorRayan, Mahmoud
dc.contributor.authorAbu-Lafi, Saleh
dc.contributor.authorFalah, Mizied
dc.contributor.authorRaiyn, Jamal
dc.contributor.authorAbdallah, Ziyad
dc.contributor.authorRayan, Anwar
dc.date.accessioned2019-12-10T14:57:24Z
dc.date.available2019-12-10T14:57:24Z
dc.date.issued2017-09-27
dc.description.abstractObjectives The aim was to index natural products for less expensive preventive or curative anti-inflammatory therapeutic drugs. Materials A set of 441 anti-inflammatory drugs representing the active domain and 2892 natural products representing the inactive domain was used to construct a predictive model for bioactivity-indexing purposes. Method The model for indexing the natural products for potential anti-inflammatory activity was constructed using the iterative stochastic elimination algorithm (ISE). ISE is capable of differentiating between active and inactive antiinflammatory molecules. Results By applying the prediction model to a mix set of (active/inactive) substances, we managed to capture 38% of the anti-inflammatory drugs in the top 1% of the screened set of chemicals, yielding enrichment factor of 38. Ten natural products that scored highly as potential antiinflammatory drug candidates are disclosed. Searching the PubMed revealed that only three molecules (Moupinamide, Capsaicin, and Hypaphorine) out of the ten were tested and reported as anti-inflammatory. The other seven phytochemicals await evaluation for their anti-inflammatory activity in wet lab. Conclusion The proposed anti-inflammatory model can be utilized for the virtual screening of large chemical databases and for indexing natural products for potential antiinflammatory activity.en_US
dc.description.sponsorshipThis work was partially supported by the Al- Qasemi Research Foundation (Grant no. 954000) and the Ministry of Science, Space and Technology, Israel. We declare that the funders had no role in the study design, data collection and analysis, decision to publish, or preparation of the manuscript.en_US
dc.identifier.citationAswad, M., Rayan, M., Abu-Lafi, S. et al. Inflamm. Res. (2018) 67: 67. https://doi.org/10.1007/s00011-017-1096-5en_US
dc.identifier.issn1420-908X
dc.identifier.urihttps://dspace.alquds.edu/handle/20.500.12213/5013
dc.language.isoenen_US
dc.publisherSpringer International Publishing AGen_US
dc.subjectAnti-inflammatoryen_US
dc.subjectChemoinformaticsen_US
dc.subjectLigand-based modelingen_US
dc.subjectBioactivity indexen_US
dc.titleNature is the best source of anti-inflammatory drugs: indexing natural products for their anti-inflammatory bioactivityen_US
dc.typeArticleen_US
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