In Silico ADME/Tox Profiling of NaturalProducts: A Focus on BIOFACQUIM
2020
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.
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