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X Demographics
Mendeley readers
Attention Score in Context
| Title |
QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities
|
|---|---|
| Published in |
Frontiers in Pharmacology, March 2018
|
| DOI | 10.3389/fphar.2018.00146 |
| Pubmed ID | |
| Authors |
Marilia N. N. Lima, Cleber C. Melo-Filho, Gustavo C. Cassiano, Bruno J. Neves, Vinicius M. Alves, Rodolpho C. Braga, Pedro V. L. Cravo, Eugene N. Muratov, Juliana Calit, Daniel Y. Bargieri, Fabio T. M. Costa, Carolina H. Andrade |
| Abstract |
Malaria is a life-threatening infectious disease caused by parasites of the genus Plasmodium, affecting more than 200 million people worldwide every year and leading to about a half million deaths. Malaria parasites of humans have evolved resistance to all current antimalarial drugs, urging for the discovery of new effective compounds. Given that the inhibition of deoxyuridine triphosphatase of Plasmodium falciparum (PfdUTPase) induces wrong insertions in plasmodial DNA and consequently leading the parasite to death, this enzyme is considered an attractive antimalarial drug target. Using a combi-QSAR (quantitative structure-activity relationship) approach followed by virtual screening and in vitro experimental evaluation, we report herein the discovery of novel chemical scaffolds with in vitro potency against asexual blood stages of both P. falciparum multidrug-resistant and sensitive strains and against sporogonic development of P. berghei. We developed 2D- and 3D-QSAR models using a series of nucleosides reported in the literature as PfdUTPase inhibitors. The best models were combined in a consensus approach and used for virtual screening of the ChemBridge database, leading to the identification of five new virtual PfdUTPase inhibitors. Further in vitro testing on P. falciparum multidrug-resistant (W2) and sensitive (3D7) parasites showed that compounds LabMol-144 and LabMol-146 demonstrated fair activity against both strains and presented good selectivity versus mammalian cells. In addition, LabMol-144 showed good in vitro inhibition of P. berghei ookinete formation, demonstrating that hit-to-lead optimization based on this compound may also lead to new antimalarials with transmission blocking activity. |
X Demographics
The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Switzerland | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 52 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 52 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 9 | 17% |
| Student > Bachelor | 9 | 17% |
| Student > Master | 8 | 15% |
| Lecturer | 3 | 6% |
| Researcher | 3 | 6% |
| Other | 11 | 21% |
| Unknown | 9 | 17% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 12 | 23% |
| Biochemistry, Genetics and Molecular Biology | 7 | 13% |
| Pharmacology, Toxicology and Pharmaceutical Science | 4 | 8% |
| Immunology and Microbiology | 4 | 8% |
| Engineering | 2 | 4% |
| Other | 4 | 8% |
| Unknown | 19 | 37% |
Attention Score in Context
This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 08 March 2018.
All research outputs
#23,136,494
of 25,769,258 outputs
Outputs from Frontiers in Pharmacology
#12,540
of 20,000 outputs
Outputs of similar age
#309,664
of 349,430 outputs
Outputs of similar age from Frontiers in Pharmacology
#239
of 370 outputs
Altmetric has tracked 25,769,258 research outputs across all sources so far. This one is in the 1st percentile – i.e., 1% of other outputs scored the same or lower than it.
So far Altmetric has tracked 20,000 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 5.3. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 349,430 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 370 others from the same source and published within six weeks on either side of this one. This one is in the 1st percentile – i.e., 1% of its contemporaries scored the same or lower than it.