All Stories

  1. Deep Learning-driven research for drug discovery: Tackling Malaria
  2. Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models
  3. A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment
  4. Development of Web and Mobile Applications for Chemical Toxicity Prediction
  5. Molecular dynamics simulations of the Zika virus NS3 helicase.
  6. Pred-Skin: A Fast and Reliable Web Application to Assess Skin Sensitization Effect of Chemicals
  7. QSAR-Driven Discovery of Novel Chemical Scaffolds Active Against Schistosoma mansoni
  8. Modern approaches to accelerate discovery of new antischistosomal drugs
  9. Modeling the proteins in the Zika virus
  10. Can Open Drug Discovery efforts contribute to a cure for the Zika Virus?
  11. The antidepressant drug paroxetine as a new lead candidate in schistosome drug discovery
  12. Blocking the L-type Ca2+ channel (Cav 1.2) is the key mechanism for the vascular relaxing effect of Pterodon spp. and its isolated diterpene methyl-6α-acetoxy-7β-hydroxyvouacapan-17β-oate
  13. Binding Affinity, Specificity and Comparative Biodistribution of the Parental Murine Monoclonal Antibody MX35 (Anti-NaPi2b) and Its Humanized Version Rebmab200
  14. Natural Products as Leads in Schistosome Drug Discovery
  15. Drug Repositioning for Schisotomiasis
  16. In silico Prediction of Drug Metabolism by P450
  17. Virtual Screening Strategies in Medicinal Chemistry: The State of the Art and Current Challenges
  18. Foreword
  19. 3D-QSAR Approaches in Drug Design: Perspectives to Generate Reliable CoMFA Models
  20. Editorial (Thematic Issue: Drug Metabolism, Toxicology Experimental Determination and Theoretical Prediction: Challenges and Perspectives from a Medicinal Chemistry Point of View)
  21. Tuning hERG Out: Antitarget QSAR Models for Drug Development
  22. Advances in Methods for Predicting Phase I Metabolism of Polyphenols
  23. New Tuberculostatic Agents Targeting Nucleic Acid Biosynthesis: Drug Design using QSAR Approaches
  24. Discovery of new potential hits of Plasmodium falciparum enoyl-ACP reductase through ligand- and structure-based drug design approaches
  25. Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound
  26. XII National Meeting of Pharmaceutical Chemistry Professors: could we have now a subarea of Pharmaceutical and Medicinal Chemistry in the CNPq Pharmacy Comittee?
  27. Anti-inflammatory and antinociceptive activities of LQFM002 — A 4-nerolidylcatechol derivative
  28. In silico metabolism studies of dietary flavonoids by CYP1A2 and CYP2C9
  29. Synthesis, Docking Studies, Pharmacological Activity and Toxicity of a Novel Pyrazole Derivative (LQFM 021)—Possible Effects on Phosphodiesterase
  30. Anti-inflammatory effect of (E)-4-(3,7-dimethylocta-2,6-dienylamino)phenol, a new derivative of 4-nerolidylcatechol
  31. Structural and chemical basis for enhanced affinity to a series of mycobacterial thymidine monophosphate kinase inhibitors: fragment-based QSAR and QM/MM docking studies
  32. Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone
  33. Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294
  34. 4D-QSAR: Perspectives in Drug Design
  35. Design of new dopamine D2 receptor ligands: Biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581
  38. 3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents
  39. Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors
  40. Three-Dimensional Quantitative Structure-Activity Relationships for a Large Series of Potent Antitubercular Agents
  41. Abordagem racional no planejamento de novos tuberculostáticos: inibidores da InhA, enoil-ACP redutase do M. tuberculosis
  42. Fragment-based and classical quantitative structure–activity relationships for a series of hydrazides as antituberculosis agents