50 results on '"Andrade, Carolina H."'
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2. List of contributors
3. Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity
4. Shortcuts to schistosomiasis drug discovery: The state-of-the-art
5. Characterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate
6. Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins
7. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
8. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
9. Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence
10. Drug Discovery and Development for Kinetoplastid Diseases
11. CATMoS: Collaborative Acute Toxicity Modeling Suite
12. Artificial Intelligence Applied to the Rapid Identification of New Antimalarial Candidates with Dual‐Stage Activity
13. A critical overview of computational approaches employed for COVID-19 drug discovery
14. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
15. Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs
16. 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
17. Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria
18. Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds
19. Oy Vey! A Comment on “Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility”
20. Computer-aided identification of novel anti-paracoccidioidomycosis compounds
21. QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities
22. Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?
23. In Vitro , In Silico , and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi
24. Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages
25. Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds
26. Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi
27. Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes
28. Illustrating and homology modeling the proteins of the Zika virus
29. QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
30. Illustrating and homology modeling the proteins of the Zika virus
31. QSAR models of human data can enrich or replace LLNA testing for human skin sensitization
32. Alarms about structural alerts
33. QSAR and Molecular Modeling Approaches for Prediction of Drug Metabolism
34. Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity
35. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization
36. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
37. In Silico Repositioning-Chemogenomics Strategy Identifies New Drugs with Potential Activity against Multiple Life Stages of Schistosoma mansoni
38. Assessing the Performance of 3D Pharmacophore Models in Virtual Screening: How Good are They?
39. Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches
40. Biotransformation of LASSBio-579 and pharmacological evaluation of p -hydroxylated metabolite a N -phenylpiperazine antipsychotic lead compound
41. In silico metabolism studies of dietary flavonoids by CYP1A2 and CYP2C9
42. Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol
43. Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies
44. Cyclic voltammetry and computational chemistry studies on the evaluation of the redox behavior of parabens and other analogues
45. Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone
46. Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294
47. 4D-QSAR: Perspectives in Drug Design
48. Design of new dopamine D2 receptor ligands: Biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581
49. Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors
50. Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
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