174 results on '"Ferreira, Rafaela Salgado"'
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2. New anti-SARS-CoV-2 aminoadamantane compounds as antiviral candidates for the treatment of COVID-19
3. Discovery and structural optimization of a new series of N-acyl-2-aminobenzothiazole as inhibitors of Zika virus
4. Design and synthesis of new 1,2,3-triazoles derived from eugenol and analogues with in vitro and in vivo activity against Trypanosoma cruzi
5. Structure-based discovery of novel cruzain inhibitors with distinct trypanocidal activity profiles
6. From rational design to serendipity: Discovery of novel thiosemicarbazones as potent trypanocidal compounds
7. Structure-Aided Computational Design of Triazole-Based Targeted Covalent Inhibitors of Cruzipain.
8. New drug discovery strategies for the treatment of benznidazole-resistance in Trypanosoma cruzi , the causative agent of Chagas disease
9. Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
10. 2-(phenylthio)ethylidene derivatives as anti-Trypanosoma cruzi compounds: Structural design, synthesis and antiparasitic activity
11. Molecular targets for Chagas disease: validation, challenges and lead compounds for widely exploited targets
12. Synthesis and leishmanicidal activity of eugenol derivatives bearing 1,2,3-triazole functionalities
13. Structural design, synthesis and pharmacological evaluation of thiazoles against Trypanosoma cruzi
14. Desing and synthesis of potent anti-Trypanosoma cruzi agents new thiazoles derivatives which induce apoptotic parasite death
15. Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification
16. Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations
17. New 1,3-thiazole derivatives and their biological and ultrastructural effects on Trypanosoma cruzi
18. Structural design, synthesis and pharmacological evaluation of 4-thiazolidinones against Trypanosoma cruzi
19. Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism
20. Screening the Pathogen Box to Discover and Characterize New Cruzain and TbrCatL Inhibitors
21. Synthesis and structure–activity relationship study of a new series of antiparasitic aryloxyl thiosemicarbazones inhibiting Trypanosoma cruzi cruzain
22. Synthesis, Design, and Structure‐Activity Relationship of a Benzenesulfonylpiperazine Series against Trypanosoma cruzi
23. 2-Pyridyl thiazoles as novel anti-Trypanosoma cruzi agents: Structural design, synthesis and pharmacological evaluation
24. Conformational restriction of aryl thiosemicarbazones produces potent and selective anti-Trypanosoma cruzi compounds which induce apoptotic parasite death
25. Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations
26. Computational approaches towards the discovery and optimisation of cruzain inhibitors
27. Optimization of anti-Trypanosoma cruzi oxadiazoles leads to identification of compounds with efficacy in infected mice
28. Computational approaches towards the discovery and optimisation of cruzain inhibitors
29. Impact of different protonation states on virtual screening performance against cruzain
30. Screening the Pathogen Box to Discover and Characterize New Cruzain and Tbr CatL Inhibitors.
31. Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents
32. The gene repertoire of the main cysteine protease of Trypanosoma cruzi, cruzipain, reveals four sub-types with distinct active sites
33. Atividade de detergentes e desinfetantes sobre a evolução dos ovos de Ascaris lumbricoides
34. PyAutoFEP: An Automated Free Energy Perturbation Workflow for GROMACS Integrating Enhanced Sampling Methods
35. Impact of different protonation states on virtual screening performance against cruzain.
36. Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations
37. In silico and in vitro investigation of cruzain and rhodesain inhibitors in the Pathogen Box
38. Profiling selectivity of chagasin mutants towards cysteine proteases cruzain or cathepsin L through molecular dynamics simulations.
39. Structure-based Approaches Targeting Parasite Cysteine Proteases
40. Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design
41. Insights into Substrate and Inhibitor Selectivity among Human GLUT Transporters through Comparative Modeling and Molecular Docking
42. Antimetastatic effect of the pharmacological inhibition of serine/arginine-rich protein kinases (SRPK) in murine melanoma
43. Ortho-nitrobenzyl derivatives as potential anti-schistosomal agents
44. Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond
45. Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond
46. In silico identification of essential proteins in Corynebacterium pseudotuberculosis based on protein-protein interaction networks
47. Trypanosomal Cysteine Peptidases: Target Validation and Drug Design Strategies
48. Corynebacterium pseudotuberculosis may be under anagenesis and biovar Equi forms biovar Ovis: a phylogenic inference from sequence and structural analysis
49. Unraveling the distinctive features of hemorrhagic and non-hemorrhagic snake venom metalloproteinases using molecular simulations
50. Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors
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