All Stories

  1. Unveiling of promising DprE1 inhibitor hits from our designed virtual library and Africa natural products database through integrated computational approaches
  2. Natural Products in Gambeya lacourtiana (Sapotaceae): Identification, In Vitro Cytoxicity, and Deep Learning‐Based Pharmacokinetic Prediction
  3. The Pan-African Natural Products Library Compounds Oleanolic Acid, Poinsettifolin B, and Rhuschalcone III Disrupt SARS-CoV-2 Spike-Host ACE2 Interactions and SARS-CoV-2 Replication
  4. Enantioselective protein affinity selection mass spectrometry (E-ASMS)
  5. Identification and Characterization of a Small Molecule Ligand for the Huntingtin-HAP40 Complex
  6. African Natural Products Database (ANPDB): A resource for exploring the therapeutic potential of natural compounds from Africa
  7. Iboga‐Indole Alkaloids as Potential Plasmodial Inhibitors: Identification, Biosynthesis, and Molecular Docking Studies
  8. Natural Products in Cyperus Species (Cyperaceae): Phytochemistry, Pharmacological Activities, and Biosynthesis
  9. StreptomeDB 4.0: a comprehensive database of streptomycetes natural products enriched with protein interactions and interactive spectral visualization
  10. Computational discovery of dual potential inhibitors of SARS‐CoV‐2 spike/ACE2 and Mpro: 3D-pharmacophore, docking-based virtual screening, quantum mechanics and molecular dynamics
  11. Emerging structure-based computational methods to screen the exploding accessible chemical space
  12. 5-chloro-3-(2-(2,4-dinitrophenyl) hydrazono)indolin-2-one: synthesis, characterization, biochemical and computational screening against SARS-CoV-2
  13. Design, synthesis, and biochemical and computational screening of novel oxindole derivatives as inhibitors of Aurora A kinase and SARS-CoV-2 spike/host ACE2 interaction
  14. Challenges in natural product-based drug discovery assisted with in silico-based methods
  15. Artificial intelligence for antiviral drug discovery in low resourced settings: A perspective
  16. Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis
  17. 11 Case studies on computer-based identification of natural products as lead molecules
  18. Binding Free Energy (BFE) Calculations and Quantitative Structure–Activity Relationship (QSAR) Analysis of Schistosoma mansoni Histone Deacetylase 8 (smHDAC8) Inhibitors
  19. Strategies To Design Selective Histone Deacetylase Inhibitors
  20. Alkaloids with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling
  21. Compounds with Anti-Onchocercal Activity from Voacanga africana Stapf (Apocynaceae): Identification and Molecular Modeling
  22. StreptomeDB 3.0: an updated compendium of streptomycetes natural products
  23. Pharmacoinformatic Investigation of Medicinal Plants from East Africa
  24. Novel Histone Deacetylase Inhibitors and HIV-1 Latency-Reversing Agents Identified by Large-Scale Virtual Screening
  25. Case studies on computer-based identification of natural products as lead molecules
  26. Synthesis, Urease Inhibition and Molecular Modelling Studies of Novel Derivatives of the Naturally Occurring β-Amyrenone
  27. Design of selective histone deacetylase inhibitors: rethinking classical pharmacophore
  28. Compounds from African Medicinal Plants with Activities Against Selected Parasitic Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis
  29. A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing
  30. In silico toxicity profiling of natural product compound libraries from African flora with anti-malarial and anti-HIV properties
  31. Compounds from African Medicinal Plants with Activities against Protozoal Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis
  32. Computational Studies and Biosynthesis of Natural Products with Promising Anticancer Properties
  33. NANPDB: A Resource for Natural Products from Northern African Sources
  34. African Medicinal Plants: An Untapped Reservoir of Potential Anticancer Agents
  35. Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants
  36. 11th German Conference on Chemoinformatics (GCC 2015)
  37. Exploring Cancer Therapeutics with Natural Products from African Medicinal Plants, Part II: Alkaloids, Terpenoids and Flavonoids
  38. Exploring Cancer Therapeutics with Natural Products from African Medicinal Plants, Part I: Xanthones, Quinones, Steroids, Coumarins, Phenolics and other Classes of Compounds
  39. ChemInform Abstract: The Uniqueness and Therapeutic Value of Natural Products from West African Medicinal Plants. Part 3. Least Abundant Compound Classes
  40. ChemInform Abstract: The Uniqueness and Therapeutic Value of Natural Products from West African Medicinal Plants. Part 2. Terpenoids, Geographical Distribution and Drug Discovery
  41. ChemInform Abstract: The Uniqueness and Therapeutic Value of Natural Products from West African Medicinal Plants. Part 1. Uniqueness and Chemotaxonomy
  42. Molecular Modeling of Potential Anticancer Agents from African Medicinal Plants
  43. A Bioactivity Versus Ethnobotanical Survey of Medicinal Plants from Nigeria, West Africa
  44. The uniqueness and therapeutic value of natural products from West African medicinal plants. Part I: uniqueness and chemotaxonomy
  45. The uniqueness and therapeutic value of natural products from West African medicinal plants, part II: terpenoids, geographical distribution and drug discovery
  46. The uniqueness and therapeutic value of natural products from West African medicinal plants, part III: least abundant compound classes