In Silico ADME/Tox Profiling of Natural
Products: A Focus on BIOFACQUIM
Posted on 2020-06-25 - 19:33
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 in silico 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.
CITE THIS COLLECTION
DataCiteDataCite
3 Biotech3 Biotech
3D Printing in Medicine3D Printing in Medicine
3D Research3D Research
3D-Printed Materials and Systems3D-Printed Materials and Systems
4OR4OR
AAPG BulletinAAPG Bulletin
AAPS OpenAAPS Open
AAPS PharmSciTechAAPS PharmSciTech
Abhandlungen aus dem Mathematischen Seminar der Universität HamburgAbhandlungen aus dem Mathematischen Seminar der Universität Hamburg
ABI Technik (German)ABI Technik (German)
Academic MedicineAcademic Medicine
Academic PediatricsAcademic Pediatrics
Academic PsychiatryAcademic Psychiatry
Academic QuestionsAcademic Questions
Academy of Management DiscoveriesAcademy of Management Discoveries
Academy of Management JournalAcademy of Management Journal
Academy of Management Learning and EducationAcademy of Management Learning and Education
Academy of Management PerspectivesAcademy of Management Perspectives
Academy of Management ProceedingsAcademy of Management Proceedings
Academy of Management ReviewAcademy of Management Review
Durán-Iturbide, Noemi
Angeles; Díaz-Eufracio, Bárbara I.; Medina-Franco, José L. (2020). In Silico ADME/Tox Profiling of Natural
Products: A Focus on BIOFACQUIM. ACS Publications. Collection. https://doi.org/10.1021/acsomega.0c01581