Title |
Discovery of potent, novel, non-toxic anti-malarial compounds via quantum modelling, virtual screening and in vitro experimental validation
|
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Published in |
Malaria Journal, September 2011
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DOI | 10.1186/1475-2875-10-274 |
Pubmed ID | |
Authors |
David J Sullivan, Nikola Kaludov, Martin N Martinov |
Abstract |
Developing resistance towards existing anti-malarial therapies emphasize the urgent need for new therapeutic options. Additionally, many malaria drugs in use today have high toxicity and low therapeutic indices. Gradient Biomodeling, LLC has developed a quantum-model search technology that uses quantum similarity and does not depend explicitly on chemical structure, as molecules are rigorously described in fundamental quantum attributes related to individual pharmacological properties. Therapeutic activity, as well as toxicity and other essential properties can be analysed and optimized simultaneously, independently of one another. Such methodology is suitable for a search of novel, non-toxic, active anti-malarial compounds. |
Mendeley readers
Geographical breakdown
Country | Count | As % |
---|---|---|
India | 3 | 6% |
United Kingdom | 2 | 4% |
South Africa | 1 | 2% |
Pakistan | 1 | 2% |
United States | 1 | 2% |
Unknown | 40 | 83% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Student > Ph. D. Student | 9 | 19% |
Student > Master | 8 | 17% |
Student > Bachelor | 4 | 8% |
Researcher | 4 | 8% |
Professor > Associate Professor | 4 | 8% |
Other | 10 | 21% |
Unknown | 9 | 19% |
Readers by discipline | Count | As % |
---|---|---|
Chemistry | 16 | 33% |
Agricultural and Biological Sciences | 9 | 19% |
Medicine and Dentistry | 3 | 6% |
Biochemistry, Genetics and Molecular Biology | 2 | 4% |
Engineering | 2 | 4% |
Other | 7 | 15% |
Unknown | 9 | 19% |