Design and Synthesis
of Natural Product Inspired Libraries
Based on the Three-Dimensional (3D) Cedrane Scaffold: Toward the Exploration
of 3D Biological Space
Version 2 2018-09-21, 05:43
Version 1 2018-07-27, 14:44
Posted on 2018-09-21 - 05:43
A chemoinformatic
method was developed to extract nonflat scaffolds
embedded in natural products within the Dictionary of Natural Products
(DNP). The cedrane scaffold was then chosen as an example of a nonflat
scaffold that directs substituents in three-dimensional (3D) space.
A cedrane scaffold that has three orthogonal handles to allow generation
of 1D, 2D, and 3D libraries was synthesized on a large scale. These
libraries would cover more than 50% of the natural diversity of natural
products with an embedded cedrane scaffold. Synthesis of three focused
natural product-like libraries based on the 3D cedrane scaffold was
achieved. A phenotypic assay was used to test the biological profile
of synthesized compounds against normal and Parkinson’s patient-derived
cells. The cytological profiles of the synthesized analogues based
on the cedrane scaffold revealed that this 3D scaffold, prevalidated
by nature, can interact with biological systems as it displayed various
effects against normal and Parkinson’s patient-derived cell
lines.
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3 Biotech
3D Printing in Medicine
3D Research
3D-Printed Materials and Systems
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AAPG Bulletin
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Abhandlungen aus dem Mathematischen Seminar der Universität Hamburg
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Mazraati Tajabadi, Fatemeh; Pouwer, Rebecca H.; Liu, Miaomiao; Dashti, Yousef; Campitelli, Marc R.; Murtaza, Mariyam; et al. (2018). Design and Synthesis
of Natural Product Inspired Libraries
Based on the Three-Dimensional (3D) Cedrane Scaffold: Toward the Exploration
of 3D Biological Space. ACS Publications. Collection. https://doi.org/10.1021/acs.jmedchem.8b00194
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AUTHORS (10)
FM
Fatemeh Mazraati Tajabadi
RP
Rebecca H. Pouwer
ML
Miaomiao Liu
YD
Yousef Dashti
MC
Marc R. Campitelli
MM
Mariyam Murtaza
GD
George D. Mellick
SW
Stephen A. Wood
IJ
Ian D. Jenkins
RQ
Ronald J. Quinn