Exploration of Scaffolds from Natural Products with Antiplasmodial Activities, Currently Registered Antimalarial Drugs and Public Malarial Screen Data

Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry
Samuel EgieyehSarel F Malan

Abstract

In light of current resistance to antimalarial drugs, there is a need to discover new classes of antimalarial agents with unique mechanisms of action. Identification of unique scaffolds from natural products with in vitro antiplasmodial activities may be the starting point for such new classes of antimalarial agents. We therefore conducted scaffold diversity and comparison analysis of natural products with in vitro antiplasmodial activities (NAA), currently registered antimalarial drugs (CRAD) and malaria screen data from Medicine for Malaria Ventures (MMV). The scaffold diversity analyses on the three datasets were performed using scaffold counts and cumulative scaffold frequency plots. Scaffolds from the NAA were compared to those from CRAD and MMV. A Scaffold Tree was also generated for each of the datasets and the scaffold diversity of NAA was found to be higher than that of MMV. Among the NAA compounds, we identified unique scaffolds that were not contained in any of the other compound datasets. These scaffolds from NAA also possess desirable drug-like properties making them ideal starting points for antimalarial drug design considerations. The Scaffold Tree showed the preponderance of ring systems in NAA and identified vi...Continue Reading

References

Jul 19, 1996·Journal of Medicinal Chemistry·G W Bemis, M A Murcko
Feb 19, 2000·Current Opinion in Biotechnology·P Willett
Nov 10, 2000·Toxicon : Official Journal of the International Society on Toxinology·S M Rates
Nov 26, 2002·Journal of Chemical Information and Computer Sciences·Joseph L DurantJames G Nourse
Jul 26, 2003·Journal of Natural Products·David J NewmanKenneth M Snader
Jun 9, 2004·Current Opinion in Chemical Biology·Jean-Yves Ortholand, A Ganesan
Jun 9, 2004·Current Opinion in Chemical Biology·Armen M Boldi
Dec 17, 2004·Nature·Jon Clardy, Christopher Walsh
Feb 25, 2005·Nature Reviews. Drug Discovery·Frank E Koehn, Guy T Carter
Oct 14, 2005·Journal of Medicinal Chemistry·Richard KhoHugo O Villar
Nov 18, 2005·Biochemical Pharmacology·Mark S Butler, Antony D Buss
Mar 28, 2006·Journal of Chemical Information and Modeling·Mireille KrierDidier Rognan
Mar 28, 2006·Journal of Chemical Information and Modeling·Eric-Wubbo LameijerAd P Ijzerman
Jul 20, 2007·Nature Chemical Biology·Anang A Shelat, R Kiplin Guy
Sep 22, 2007·Journal of Ethnopharmacology·Patrice Njomnang Soh, Françoise Benoit-Vical
Nov 24, 2007·Transactions of the Royal Society of Tropical Medicine and Hygiene·Michel FrederichLuc Angenot
May 29, 2008·The Journal of Organic Chemistry·Alan H LipkusUNKNOWN CAS Registry
Sep 30, 2008·Natural Product Reports·Kristina GrabowskiGisbert Schneider
Nov 19, 2008·Angewandte Chemie·Daniel MortonAdam Nelson
Mar 24, 2009·Journal of Chemical Information and Modeling·Narender SinghJose L Medina-Franco
Jun 30, 2009·Nature Chemical Biology·Stefan WetzelHerbert Waldmann
Mar 23, 2010·Current Opinion in Chemical Biology·Matthew E WelschBrent R Stockwell
May 21, 2010·Accounts of Chemical Research·Robin S Bon, Herbert Waldmann
Sep 25, 2010·Nature Communications·Warren R J D GallowayDavid R Spring
Sep 1, 2011·Journal of Chemical Information and Modeling·Sarah R LangdonJulian Blagg
Feb 23, 2013·Biochimica Et Biophysica Acta·Gordon M Cragg, David J Newman
Dec 1, 2009·Expert Opinion on Drug Discovery·Hugo O Villar, Mark R Hansen
Dec 1, 2004·Drug Discovery Today. Technologies·Christopher A Lipinski
Jan 7, 2015·Journal of Chemical Information and Modeling·Thomas SanderChristian Rufener

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Citations

Dec 23, 2016·Phytochemical Analysis : PCA·Kanika VermaRamanathan K

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Methods Mentioned

BETA
PCA

Software Mentioned

Fragfp
Scaffold Hunter
Scaffold Tree
ChEMBL
Scaffold
RDKit
Datawarrior

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Antimalarial Agents (ASM)

Antimalarial agents, also known as antimalarials, are designed to prevent or cure malaria. Discover the latest research on antimalarial agents here.

Antimalarial Agents

Antimalarial agents, also known as antimalarials, are designed to prevent or cure malaria. Discover the latest research on antimalarial agents here.

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