Ferreira RS - Search Results

1

Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations.

de Souza RA, Díaz N, Nagem RA, Ferreira RS, Suárez D. de Souza RA, et al. Among authors: ferreira rs. J Comput Aided Mol Des. 2016 Jan;30(1):69-83. doi: 10.1007/s10822-015-9889-5. Epub 2015 Dec 16. J Comput Aided Mol Des. 2016. PMID: 26676823

2

Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations.

Martins LC, Torres PHM, de Oliveira RB, Pascutti PG, Cino EA, Ferreira RS. Martins LC, et al. Among authors: ferreira rs. J Comput Aided Mol Des. 2018 May;32(5):591-605. doi: 10.1007/s10822-018-0112-3. Epub 2018 Mar 21. J Comput Aided Mol Des. 2018. PMID: 29564808

3

Assessing the Interactions between Snake Venom Metalloproteinases and Hydroxamate Inhibitors Using Kinetic and ITC Assays, Molecular Dynamics Simulations and MM/PBSA-Based Scoring Functions.

de Souza RA, Díaz N, G Fuentes L, Pimenta A, Nagem RAP, Chávez-Olórtegui C, Schneider FS, Molina F, Sanchez EF, Suárez D, Ferreira RS. de Souza RA, et al. Among authors: ferreira rs. ACS Omega. 2024 Dec 10;9(51):50599-50621. doi: 10.1021/acsomega.4c08439. eCollection 2024 Dec 24. ACS Omega. 2024. PMID: 39741831 Free PMC article.

4

Integrating Molecular Docking and Molecular Dynamics Simulations.

Santos LHS, Ferreira RS, Caffarena ER. Santos LHS, et al. Among authors: ferreira rs. Methods Mol Biol. 2019;2053:13-34. doi: 10.1007/978-1-4939-9752-7_2. Methods Mol Biol. 2019. PMID: 31452096

5

Application of bioisosterism in design of the semicarbazone derivatives as cruzain inhibitors: a theoretical and experimental study.

Vital DG, Damasceno FS, Rapado LN, Silber AM, Vilella FS, Ferreira RS, Maltarollo VG, Trossini GH. Vital DG, et al. Among authors: ferreira rs. J Biomol Struct Dyn. 2017 May;35(6):1244-1259. doi: 10.1080/07391102.2016.1176603. Epub 2016 Jul 28. J Biomol Struct Dyn. 2017. PMID: 27064715

6

Molecular modeling and structure-activity relationships for a series of benzimidazole derivatives as cruzain inhibitors.

Pauli I, Ferreira LG, de Souza ML, Oliva G, Ferreira RS, Dessoy MA, Slafer BW, Dias LC, Andricopulo AD. Pauli I, et al. Among authors: ferreira rs, ferreira lg. Future Med Chem. 2017 May;9(7):641-657. doi: 10.4155/fmc-2016-0236. Epub 2017 May 16. Future Med Chem. 2017. PMID: 28509592

7

Sequence analysis of the cDNA encoding for SpCTx: a lethal factor from scorpionfish venom (Scorpaena plumieri).

Costa FLS, De Lima ME, Figueiredo SG, Ferreira RS, Prates NS, Sakamoto T, Salas CE. Costa FLS, et al. Among authors: ferreira rs. J Venom Anim Toxins Incl Trop Dis. 2018 Aug 29;24:24. doi: 10.1186/s40409-018-0158-7. eCollection 2018. J Venom Anim Toxins Incl Trop Dis. 2018. PMID: 30181739 Free PMC article.

8

Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations.

Toman NP, Kamenik AS, Santos LH, Hofer F, Liedl KR, Ferreira RS. Toman NP, et al. Among authors: ferreira rs. J Biomol Struct Dyn. 2021 Oct;39(16):5940-5952. doi: 10.1080/07391102.2020.1796797. Epub 2020 Jul 25. J Biomol Struct Dyn. 2021. PMID: 32715978

9

Understanding Structure-Activity Relationships for Trypanosomal Cysteine Protease Inhibitors by Simulations and Free Energy Calculations.

Santos LH, Waldner BJ, Fuchs JE, Pereira GAN, Liedl KR, Caffarena ER, Ferreira RS. Santos LH, et al. Among authors: ferreira rs. J Chem Inf Model. 2019 Jan 28;59(1):137-148. doi: 10.1021/acs.jcim.8b00557. Epub 2018 Dec 21. J Chem Inf Model. 2019. PMID: 30532974

10

The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites.

Santos VC, Oliveira AER, Campos ACB, Reis-Cunha JL, Bartholomeu DC, Teixeira SMR, Lima APCA, Ferreira RS. Santos VC, et al. Among authors: ferreira rs. Sci Rep. 2021 Sep 14;11(1):18231. doi: 10.1038/s41598-021-97490-2. Sci Rep. 2021. PMID: 34521898 Free PMC article.

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