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Items: 1 to 20 of 37


Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpa Is Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential.

Oliveira EA, Brito IA, Lima ML, Romanelli M, Moreira-Filho JT, Neves BJ, Andrade CH, Sartorelli P, Tempone AG, Costa-Silva TA, Lago JHG.

J Nat Prod. 2019 May 24;82(5):1177-1182. doi: 10.1021/acs.jnatprod.8b00890. Epub 2019 May 2.


Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds.

Borba JVB, Silva AC, Ramos PIP, Grazzia N, Miguel DC, Muratov EN, Furnham N, Andrade CH.

Comput Struct Biotechnol J. 2019 Feb 8;17:352-361. doi: 10.1016/j.csbj.2019.02.005. eCollection 2019.


Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria.

Conserva GAA, da Costa-Silva TA, Amaral M, Antar GM, Neves BJ, Andrade CH, Tempone AG, Lago JHG.

Phytomedicine. 2019 Feb 15;54:302-307. doi: 10.1016/j.phymed.2018.09.236. Epub 2018 Oct 9.


Oy Vey! A Comment on "Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility".

Alves VM, Borba J, Capuzzi SJ, Muratov E, Andrade CH, Rusyn I, Tropsha A.

Toxicol Sci. 2019 Jan 1;167(1):3-4. doi: 10.1093/toxsci/kfy286. No abstract available.


Computer-aided identification of novel anti-paracoccidioidomycosis compounds.

Silva LC, Neves BJ, Gomes MN, Melo-Filho CC, Soares CM, Andrade CH, Pereira M.

Future Microbiol. 2018 Oct;13:1523-1535. doi: 10.2217/fmb-2018-0175. Epub 2018 Oct 12.


QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

Lima MNN, Melo-Filho CC, Cassiano GC, Neves BJ, Alves VM, Braga RC, Cravo PVL, Muratov EN, Calit J, Bargieri DY, Costa FTM, Andrade CH.

Front Pharmacol. 2018 Mar 6;9:146. doi: 10.3389/fphar.2018.00146. eCollection 2018.


In Vitro, In Silico, and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi.

Santos CC, Lionel JR, Peres RB, Batista MM, da Silva PB, de Oliveira GM, da Silva CF, Batista DGJ, Souza SMO, Andrade CH, Neves BJ, Braga RC, Patrick DA, Bakunova SM, Tidwell RR, Soeiro MNC.

Antimicrob Agents Chemother. 2018 Jan 25;62(2). pii: e02205-17. doi: 10.1128/AAC.02205-17. Print 2018 Feb.


Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages.

Grecco SS, Costa-Silva TA, Jerz G, de Sousa FS, Londero VS, Galuppo MK, Lima ML, Neves BJ, Andrade CH, Tempone AG, Lago JHG.

Chem Biol Interact. 2017 Nov 1;277:55-61. doi: 10.1016/j.cbi.2017.08.017. Epub 2017 Aug 31.


Chalcone Derivatives: Promising Starting Points for Drug Design.

Gomes MN, Muratov EN, Pereira M, Peixoto JC, Rosseto LP, Cravo PVL, Andrade CH, Neves BJ.

Molecules. 2017 Jul 25;22(8). pii: E1210. doi: 10.3390/molecules22081210. Review.


QSAR models of human data can enrich or replace LLNA testing for human skin sensitization.

Alves VM, Capuzzi SJ, Muratov E, Braga RC, Thornton T, Fourches D, Strickland J, Kleinstreuer N, Andrade CH, Tropsha A.

Green Chem. 2016 Dec 21;18(24):6501-6515. doi: 10.1039/C6GC01836J. Epub 2016 Oct 6.


Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

Alves VM, Muratov EN, Zakharov A, Muratov NN, Andrade CH, Tropsha A.

Food Chem Toxicol. 2018 Feb;112:526-534. doi: 10.1016/j.fct.2017.04.008. Epub 2017 Apr 12.


Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds.

Sainas S, Pippione AC, Giorgis M, Lupino E, Goyal P, Ramondetti C, Buccinnà B, Piccinini M, Braga RC, Andrade CH, Andersson M, Moritzer AC, Friemann R, Mensa S, Al-Kadaraghi S, Boschi D, Lolli ML.

Eur J Med Chem. 2017 Mar 31;129:287-302. doi: 10.1016/j.ejmech.2017.02.017. Epub 2017 Feb 14.


Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi.

Grecco SS, Costa-Silva TA, Jerz G, de Sousa FS, Alves Conserva GA, Mesquita JT, Galuppo MK, Tempone AG, Neves BJ, Andrade CH, Cunha RL, Uemi M, Sartorelli P, Lago JH.

Phytomedicine. 2017 Jan 15;24:62-67. doi: 10.1016/j.phymed.2016.11.015. Epub 2016 Nov 21.


Illustrating and homology modeling the proteins of the Zika virus.

Ekins S, Liebler J, Neves BJ, Lewis WG, Coffee M, Bienstock R, Southan C, Andrade CH.

Version 2. F1000Res. 2016 Mar 3 [revised 2016 Jan 1];5:275. eCollection 2016.


Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes.

Martins LF, Mesquita JT, Pinto EG, Costa-Silva TA, Borborema SE, Galisteo Junior AJ, Neves BJ, Andrade CH, Shuhaib ZA, Bennett EL, Black GP, Harper PM, Evans DM, Fituri HS, Leyland JP, Martin C, Roberts TD, Thornhill AJ, Vale SA, Howard-Jones A, Thomas DA, Williams HL, Overman LE, Berlinck RG, Murphy PJ, Tempone AG.

J Nat Prod. 2016 Sep 23;79(9):2202-10. doi: 10.1021/acs.jnatprod.6b00256. Epub 2016 Sep 2.


Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity.

Braga RC, Alves VM, Silva MF, Muratov E, Fourches D, Lião LM, Tropsha A, Andrade CH.

Mol Inform. 2015 Oct;34(10):698-701. doi: 10.1002/minf.201500040. Epub 2015 Jul 20.


QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.

Melo-Filho CC, Dantas RF, Braga RC, Neves BJ, Senger MR, Valente WC, Rezende-Neto JM, Chaves WT, Muratov EN, Paveley RA, Furnham N, Kamentsky L, Carpenter AE, Silva-Junior FP, Andrade CH.

J Chem Inf Model. 2016 Jul 25;56(7):1357-72. doi: 10.1021/acs.jcim.6b00055. Epub 2016 Jun 16.


Natural products as leads in schistosome drug discovery.

Neves BJ, Andrade CH, Cravo PV.

Molecules. 2015 Jan 23;20(2):1872-903. doi: 10.3390/molecules20021872.


In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni.

Neves BJ, Braga RC, Bezerra JC, Cravo PV, Andrade CH.

PLoS Negl Trop Dis. 2015 Jan 8;9(1):e3435. doi: 10.1371/journal.pntd.0003435. eCollection 2015 Jan. Erratum in: PLoS Negl Trop Dis. 2015 Feb;9(2):e0003554.


Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds.

Alves VM, Muratov E, Fourches D, Strickland J, Kleinstreuer N, Andrade CH, Tropsha A.

Toxicol Appl Pharmacol. 2015 Apr 15;284(2):262-72. doi: 10.1016/j.taap.2014.12.014. Epub 2015 Jan 3.

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