Every year, around 210 million people are infected with malaria, and almost 450,000 people die from the disease; most of them are young children in Africa. Plasmodium parasites cause malaria to spread through the bites of infected female Anopheles mosquitoes, called "malaria vectors." Five parasite species were found to cause malaria in humans, with two of these, P. falciparum and P. vivax, posing the highest threat. It must be noted that it is the P. falciparum that triggers a more severe form of the disease, and those who are in contact with this infection have a higher risk of death.
Our cheminformatics team designed two proprietary Antimalarial Screening Libraries of over 10,800 drug-like screening compounds with high structural similarity to the molecules with reported antimalarial activity:
These Screening Sets were based on known structure/activity data for antimalarial compounds and are aimed for antimalarial drug discovery and HTS.
The compound selection can be customized based on your requirements, cherry picking is available.
Please, contact us at orders@lifechemicals.com for any additional information and price quotations.
Plasmodium Focused Library
This Screening Set has been designed based on a reference set of molecules with reported anti-malarial activity from the ChEMBL database. The set has been narrowed to retain only high-activity compounds (IC50 and Ki ≥ 1uM, Inhibition ≥ 30%, etc.). A 2D molecular fingerprint similarity search with Tanimoto index cut-off ≥ 0.85 has been used to analyze the proprietarily HTS Compound Collection and select 8,200 close analogues of molecules with reported antimalarial activity against one or more of the following Plasmodium species:
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Representative screening compounds from the Plasmodium Focused Library
Malaria Box Focused Library
The Malaria Box has been assembled by MMV (Medicines for Malaria Venture) to facilitate drug discovery research on malaria and neglected diseases (Fig. 1). It contained 400 structurally diverse compounds with an antimalarial activity that were available free of charge until December 2015. All of the compounds had a confirmed activity against the blood stage of P. falciparum and included:
- 200 diverse drug-like compounds as starting points for oral drug discovery and development
- 200 diverse probe-like compounds to be used as biological tools in malaria research
Figure 1. Malaria Box. Picture source: https://www.mmv.org/
At Life Chemicals, we prepared a selection of almost 2,600 small-molecule compounds with structural similarity to the Malaria Box molecules (Tanimoto index ≥ 0.80). They were selected by a 2D fingerprint similarity and are intended to be effectively employed in screening programs against malaria.
Representative screening compounds from the Malaria Box Focused Library
References:
- Spangenberg T, Burrows JN, Kowalczyk P, McDonald S, Wells TN, Willis P. The open access malaria box: a drug discovery catalyst for neglected diseases. PLoS One. 2013;8(6):e62906