Silva JRA - Search Results

1

Role of UDP-N-acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations.

de Oliveira MVD, da Costa KS, Silva JRA, Lameira J, Lima AH. de Oliveira MVD, et al. Among authors: silva jra. Protein Sci. 2024 Apr;33(4):e4969. doi: 10.1002/pro.4969. Protein Sci. 2024. PMID: 38532715

2

Computational analysis of human OGA structure in complex with PUGNAc and NAG-thiazoline derivatives.

de Alencar NA, Sousa PR, Silva JR, Lameira J, Alves CN, Martí S, Moliner V. de Alencar NA, et al. J Chem Inf Model. 2012 Oct 22;52(10):2775-83. doi: 10.1021/ci2006005. Epub 2012 Sep 18. J Chem Inf Model. 2012. PMID: 22937904

3

Combined kinetic studies and computational analysis on kojic acid analogous as tyrosinase inhibitors.

Lima CR, Silva JR, de Tássia Carvalho Cardoso E, Silva EO, Lameira J, do Nascimento JL, do Socorro Barros Brasil D, Alves CN. Lima CR, et al. Molecules. 2014 Jul 7;19(7):9591-605. doi: 10.3390/molecules19079591. Molecules. 2014. PMID: 25004069 Free PMC article.

4

Targeting the cell wall of Mycobacterium tuberculosis: a molecular modeling investigation of the interaction of imipenem and meropenem with L,D-transpeptidase 2.

Silva JR, Bishai WR, Govender T, Lamichhane G, Maguire GE, Kruger HG, Lameira J, Alves CN. Silva JR, et al. J Biomol Struct Dyn. 2016;34(2):304-17. doi: 10.1080/07391102.2015.1029000. Epub 2015 Jul 24. J Biomol Struct Dyn. 2016. PMID: 25762064

5

Pentacycloundecane lactam vs lactone norstatine type protease HIV inhibitors: binding energy calculations and DFT study.

Honarparvar B, Pawar SA, Alves CN, Lameira J, Maguire GE, Silva JR, Govender T, Kruger HG. Honarparvar B, et al. J Biomed Sci. 2015 Feb 18;22(1):15. doi: 10.1186/s12929-015-0115-5. J Biomed Sci. 2015. PMID: 25889635 Free PMC article.

6

Simulating the inhibition reaction of Mycobacterium tuberculosis L,D-transpeptidase 2 by carbapenems.

Silva JR, Govender T, Maguire GE, Kruger HG, Lameira J, Roitberg AE, Alves CN. Silva JR, et al. Chem Commun (Camb). 2015 Aug 14;51(63):12560-2. doi: 10.1039/c5cc03202d. Chem Commun (Camb). 2015. PMID: 26153571

7

Mycobacterium abscessus l,d-Transpeptidases Are Susceptible to Inactivation by Carbapenems and Cephalosporins but Not Penicillins.

Kumar P, Chauhan V, Silva JRA, Lameira J, d'Andrea FB, Li SG, Ginell SL, Freundlich JS, Alves CN, Bailey S, Cohen KA, Lamichhane G. Kumar P, et al. Among authors: silva jra. Antimicrob Agents Chemother. 2017 Sep 22;61(10):e00866-17. doi: 10.1128/AAC.00866-17. Print 2017 Oct. Antimicrob Agents Chemother. 2017. PMID: 28760902 Free PMC article.

8

Exploring Chloride Selectivity and Halogenase Regioselectivity of the SalL Enzyme through Quantum Mechanical/Molecular Mechanical Modeling.

Pereira PRM, Araújo JO, Silva JRA, Alves CN, Lameira J, Lima AH. Pereira PRM, et al. Among authors: silva jra. J Chem Inf Model. 2020 Feb 24;60(2):738-746. doi: 10.1021/acs.jcim.9b01079. Epub 2020 Jan 23. J Chem Inf Model. 2020. PMID: 31927962

9

Assessment of the Cruzain Cysteine Protease Reversible and Irreversible Covalent Inhibition Mechanism.

Silva JRA, Cianni L, Araujo D, Batista PHJ, de Vita D, Rosini F, Leitão A, Lameira J, Montanari CA. Silva JRA, et al. J Chem Inf Model. 2020 Mar 23;60(3):1666-1677. doi: 10.1021/acs.jcim.9b01138. Epub 2020 Mar 10. J Chem Inf Model. 2020. PMID: 32126170

10

Evaluating the Performance of a Non-Bonded Cu²⁺ Model Including Jahn-Teller Effect into the Binding of Tyrosinase Inhibitors.

Martins LS, Lameira J, Kruger HG, Alves CN, Silva JRA. Martins LS, et al. Among authors: silva jra. Int J Mol Sci. 2020 Jul 6;21(13):4783. doi: 10.3390/ijms21134783. Int J Mol Sci. 2020. PMID: 32640730 Free PMC article.

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