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135 results on '"Rita C, Guedes"'

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1. Inferring molecular inhibition potency with AlphaFold predicted structures

2. Decoding the secrets: how conformational and structural regulators inhibit the human 20S proteasome

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4. Development of New Drugs to Treat Tuberculosis Based on the Dinitrobenzamide Scaffold

6. New Scaffolds of Proteasome Inhibitors: Boosting Anticancer Potential by Exploiting the Synergy of In Silico and In Vitro Methodologies

7. Therapeutic targeting of PD-1/PD-L1 blockade by novel small-molecule inhibitors recruits cytotoxic T cells into solid tumor microenvironment

8. Bromoditerpenes from the Red Seaweed Sphaerococcus coronopifolius as Potential Cytotoxic Agents and Proteasome Inhibitors and Related Mechanisms of Action

9. Harnessing Protein-Ligand Interaction Fingerprints to Predict New Scaffolds of RIPK1 Inhibitors

10. Revisiting Proteasome Inhibitors: Molecular Underpinnings of Their Development, Mechanisms of Resistance and Strategies to Overcome Anti-Cancer Drug Resistance

12. Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma

13. Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential E. coli DNA Gyrase B Inhibition

14. Modulation of Human Phenylalanine Hydroxylase by 3-Hydroxyquinolin-2(1H)-One Derivatives

15. Bioinformatics Approach on Bioisosterism Softwares to be Used in Drug Discovery and Development

16. Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–7

17. Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category

18. Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin

19. Brain endothelial STING1 activation by Plasmodium -sequestered heme promotes cerebral malaria via type I IFN response

20. Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–6

21. Using Machine Learning and Molecular Docking to Leverage Urease Inhibition Data for Virtual Screening

24. Disclosing the antitumour potential of the marine bromoditerpene sphaerococcenol A on distinct cancer cellular models

27. Untargeted metabolomic study of HepG2 cells under the effect of <scp> Fucus vesiculosus </scp> aqueous extract

28. Naphthoylhydrazones: coordination to metal ions and biological screening

30. Pyrazoles as novel protein tyrosine phosphatase 1B (PTP1B) inhibitors: An in vitro and in silico study

31. Synthesis of Computationally Designed 2,5(6)-Benzimidazole Derivatives via Pd-Catalyzed Reactions for Potential E. coli DNA Gyrase B Inhibition

32. Antimicrobial Ceramic Filters for Water Bio-Decontamination

33. Computational Modulation of the V3 Region of Glycoprotein gp125 of HIV-2

34. Design of a New Gemini Lipoaminoacid with Immobilized Lipases Based on an Eco-Friendly Biosynthetic Process

35. Computational Approaches for the Discovery of Human Proteasome Inhibitors: An Overview

36. Bioactivities of iridoids and flavonoids present in decoctions from aerial parts of Verbascum betonicifolium

37. 3-Oxo-β-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling

38. Glossary of terms used in chemoinformatics of natural products: fundamental principles

40. Diazaborines as New Inhibitors of Human Neutrophil Elastase

41. Phenotypic high-throughput screening platform identifies novel chemotypes for necroptosis inhibition

42. Pyridine-Containing Macrocycles Display MMP-2/9 Inhibitory Activity and Distinct Effects on Migration and Invasion of 2D and 3D Breast Cancer Models

43. Targeting leucine-rich repeat kinase 2 (LRRK2) for the treatment of Parkinson's disease

44. To hit or not to hit: large-scale sequence analysis and structure characterization of influenza A NS1 unlocks new antiviral target potential

45. In silico, NMR and pharmacological evaluation of an hydroxyoxindole cholinesterase inhibitor

46. Unveiling the Pathogenic Molecular Mechanisms of the Most Common Variant (p.K329E) in Medium-Chain Acyl-CoA Dehydrogenase Deficiency by in Vitro and in Silico Approaches

48. Drug target prediction using chem- and bioinformatics

49. Computer‐aided drug design in new druggable targets for the next generation of immune‐oncology therapies

50. Unlocking the Potential of HK2 in Cancer Metabolism and Therapeutics