192 results on '"Andrade, Carolina H."'
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2. List of contributors
3. Characterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate
4. Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins
5. Analogues of Marine Guanidine Alkaloids Are in Vitro Effective against Trypanosoma cruzi and Selectively Eliminate Leishmania (L.) infantum Intracellular Amastigotes
6. Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity
7. Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?
8. Chapter 26 - QSAR models for predicting cardiac toxicity of drugs
9. Design, synthesis, biological evaluation and X-ray structural studies of potent human dihydroorotate dehydrogenase inhibitors based on hydroxylated azole scaffolds
10. Shortcuts to schistosomiasis drug discovery: The state-of-the-art
11. Proteomic Identification of Metabolic Changes in Paracoccidioides BrasiliensisInduced by a Nitroheteroarylchalcone
12. Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound
13. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
14. Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence
15. Predicting chemically-induced skin reactions. Part II: QSAR models of skin permeability and the relationships between skin permeability and skin sensitization
16. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds
17. Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies
18. Drug Discovery and Development for Kinetoplastid Diseases
19. CATMoS: Collaborative Acute Toxicity Modeling Suite
20. Artificial Intelligence Applied to the Rapid Identification of New Antimalarial Candidates with Dual‐Stage Activity
21. Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone
22. Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents
23. A critical overview of computational approaches employed for COVID-19 drug discovery
24. Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol
25. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
26. Development of Web and Mobile Applications for Chemical Toxicity Prediction
27. Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs
28. 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
29. Butenolides from Nectandra oppositifolia (Lauraceae) displayed anti-Trypanosoma cruzi activity via deregulation of mitochondria
30. Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds
31. promising starting points for drug design
32. Oy Vey! A Comment on “Machine Learning of Toxicological Big Data Enables Read-Across Structure Activity Relationships Outperforming Animal Test Reproducibility”
33. Computer-aided identification of novel anti-paracoccidioidomycosis compounds
34. Antitrypanosomal Activity of Acetogenins Isolated from the Seeds of Porcelia macrocarpaIs Associated with Alterations in Both Plasma Membrane Electric Potential and Mitochondrial Membrane Potential
35. QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities
36. In Vitro , In Silico , and In Vivo Analyses of Novel Aromatic Amidines against Trypanosoma cruzi
37. Neolignans from leaves of Nectandra leucantha (Lauraceae) display in vitro antitrypanosomal activity via plasma membrane and mitochondrial damages
38. QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
39. Open Drug Discovery for Zika Virus
40. Supplemental Data.docx
41. New draft item
42. Targeting the human Dihydroorotate Dehydrogenase (hDHODH) by a Scaffold Hopping Bioisosteric approach using Hydroxylated Pentatomic Heterocycles
43. Open Drug Discovery for Zika Virus Supplemental Data.docx
44. Antitrypanosomal activity and evaluation of the mechanism of action of dehydrodieugenol isolated from Nectandra leucantha (Lauraceae) and its methylated derivative against Trypanosoma cruzi
45. Illustrating and homology modeling the proteins of the Zika virus
46. Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches
47. QSAR models of human data can enrich or replace LLNA testing for human skin sensitization
48. Alarms about structural alerts
49. QSAR and Molecular Modeling Approaches for Prediction of Drug Metabolism
50. Chalcone Derivatives: Promising Starting Points for Drug Design.
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