Durán-Iturbide Noemi Angeles, Díaz-Eufracio Bárbara I, Medina-Franco José L
School of Chemistry, Department of Pharmacy, National Autonomous University of Mexico, Avenida Universidad 3000, 04510 Mexico City, Mexico.
ACS Omega. 2020 Jun 25;5(26):16076-16084. doi: 10.1021/acsomega.0c01581. eCollection 2020 Jul 7.
Natural products continue to be major sources of bioactive compounds and drug candidates not only because of their unique chemical structures but also because of their overall favorable metabolism and pharmacokinetic properties. The number of publicly accessible natural product databases has increased significantly in the past few years. However, the systematic ADME/Tox profile has been reported on a limited basis. For instance, BIOFACQUIM was recently published as a public database of natural products from Mexico, a country with a rich source of biomolecules. However, its ADME/Tox profile has not been reported. Herein, we discuss the results of an in-depth ADME/Tox profile of natural products in BIOFACQUIM and other large public collections of natural products. It was concluded that the absorption and distribution profiles of compounds in BIOFACQUIM are similar to those of approved drugs, while the metabolism profile is comparable to that in the other natural product databases. The excretion profile of compounds in BIOFACQUIM is different from that of the approved drugs, but their predicted toxicity profile is comparable. This work further contributes to the deeper characterization of natural product collections as major sources of bioactive compounds with therapeutic potential.
天然产物仍然是生物活性化合物和候选药物的主要来源，这不仅是因为它们独特的化学结构，还因为它们总体上良好的代谢和药代动力学特性。在过去几年中，可公开获取的天然产物数据库数量显著增加。然而，系统的ADME/Tox概况报告有限。例如，BIOFACQUIM最近作为一个来自墨西哥的天然产物公共数据库发布，墨西哥是一个生物分子资源丰富的国家。然而，其ADME/Tox概况尚未见报道。在此，我们讨论了BIOFACQUIM以及其他大型天然产物公共库中天然产物深入的ADME/Tox概况结果。得出的结论是，BIOFACQUIM中化合物的吸收和分布概况与已批准药物相似，而代谢概况与其他天然产物数据库相当。BIOFACQUIM中化合物的排泄概况与已批准药物不同，但其预测的毒性概况相当。这项工作进一步有助于更深入地表征天然产物库，将其作为具有治疗潜力的生物活性化合物的主要来源。
