da Cunha EF - Search Results

1

3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes.

da Cunha EF, Sippl W, de Castro Ramalho T, Ceva Antunes OA, de Alencastro RB, Albuquerque MG. da Cunha EF, et al. Eur J Med Chem. 2009 Nov;44(11):4344-52. doi: 10.1016/j.ejmech.2009.05.016. Epub 2009 May 23. Eur J Med Chem. 2009. PMID: 19616874

2

Application of 4D-QSAR studies to a series of raloxifene analogs and design of potential selective estrogen receptor modulators.

Sodero AC, Romeiro NC, da Cunha EF, de Oliveira Magalhaães U, de Alencastro RB, Rodrigues CR, Cabral LM, Castro HC, Albuquerque MG. Sodero AC, et al. Among authors: da cunha ef. Molecules. 2012 Jun 15;17(6):7415-39. doi: 10.3390/molecules17067415. Molecules. 2012. PMID: 22706372 Free PMC article.

3

QSAR Models Guided by Molecular Dynamics Applied to Human Glucokinase Activators.

de Assis TM, Gajo GC, de Assis LC, Garcia LS, Silva DR, Ramalho TC, da Cunha EF. de Assis TM, et al. Among authors: da cunha ef. Chem Biol Drug Des. 2016 Mar;87(3):455-66. doi: 10.1111/cbdd.12683. Epub 2015 Dec 16. Chem Biol Drug Des. 2016. PMID: 26547388

4

Multi-objective Optimization of Benzamide Derivatives as Rho Kinase Inhibitors.

Cardoso Gajo G, Rodrigues Silva D, Barigye SJ, da Cunha EFF. Cardoso Gajo G, et al. Mol Inform. 2018 Mar;37(3). doi: 10.1002/minf.201700080. Epub 2017 Sep 6. Mol Inform. 2018. PMID: 28876533

5

QSAR Study of N-Myristoyltransferase Inhibitors of Antimalarial Agents.

Santos-Garcia L, de Mecenas Filho MA, Musilek K, Kuca K, Ramalho TC, da Cunha EFF. Santos-Garcia L, et al. Molecules. 2018 Sep 13;23(9):2348. doi: 10.3390/molecules23092348. Molecules. 2018. PMID: 30217086 Free PMC article.

6

Mitochondriotropic action and DNA protection: Interactions between phenolic acids and enzymes.

de Abreu TS, Braga MA, Simão AA, Trento MVC, Eleutério MWF, Silva Pereira LL, da Cunha EFF, Marcussi S. de Abreu TS, et al. J Biochem Mol Toxicol. 2020 Jan;34(1):e22417. doi: 10.1002/jbt.22417. Epub 2019 Nov 12. J Biochem Mol Toxicol. 2020. PMID: 31714652

7

In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivatives.

de Faria AC, Daré JK, da Cunha EFF, Freitas MP. de Faria AC, et al. Among authors: da cunha eff. J Mol Graph Model. 2022 Jun 2;116:108242. doi: 10.1016/j.jmgm.2022.108242. Online ahead of print. J Mol Graph Model. 2022. PMID: 35671569

8

Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4'-aminophenyl)benzothiazole: a potential spectroscopic probe.

Andolpho GA, da Cunha EFF, Ramalho TC. Andolpho GA, et al. Among authors: da cunha eff. J Mol Model. 2022 May 17;28(6):154. doi: 10.1007/s00894-022-05146-3. J Mol Model. 2022. PMID: 35578053

9

Theoretical insights into the effect of halogenated substituent on the electronic structure and spectroscopic properties of the favipiravir tautomeric forms and its implications for the treatment of COVID-19.

Assis LC, de Castro AA, de Jesus JPA, da Cunha EFF, Nepovimova E, Krejcar O, Kuca K, Ramalho TC, La Porta FA. Assis LC, et al. Among authors: da cunha eff. RSC Adv. 2021 Nov 1;11(56):35228-35244. doi: 10.1039/d1ra06309j. eCollection 2021 Oct 28. RSC Adv. 2021. PMID: 35493173 Free PMC article.

10

MIA-QSAR study of the structural merging of (thio)benzamide herbicides with photosynthetic system II inhibitory activities.

Pereira IV, Daré JK, da Cunha EFF, Freitas MP. Pereira IV, et al. Among authors: da cunha eff. J Biomol Struct Dyn. 2022 Mar 28:1-7. doi: 10.1080/07391102.2022.2055649. Online ahead of print. J Biomol Struct Dyn. 2022. PMID: 35343864

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