Computational Systems Biology for New Chemical Entities Bioprospection

Part 1: Application of Metabolomics (Targeted and Untargeted) in API/NCE Quality Profiling 1. Emerging Computational Strategies for Annotating Potential Active Compounds in Medicinal Plants: An Illustration Using Helichrysum Splendidum 2. from Targeted Quantification To Untargeted Metabolomics: Applications and Prospects in Clinical Diagnosis 3. Pathway Analysis for Targeted and Untargeted Metabolomics: Beyond Biomarkers and Toward Mechanisms Part 2: Bioactive compounds isolation using the next generation retrosynthetic approaches 4. Molecular Networking as a Dereplication Strategy: Applications, Challenges, and Prospects 5. Exploring the Structural Organisation and Interactions of Secondary Metabolites of Plants and Endophytes 6. Computational Methods in Isolation of Plant Bioactive Compounds - Global Trends, Innovations, And Future Prospects 7. Bioactive Compounds of Therapeutic Importance: Extraction, Structural Elucidation, and Bioactivity 8.Biosynthesis of Bioactive Compounds from Plants: Strategies, Challenges, and Prospects 9.Biosynthesis of Bioactive Compounds from Microbes: Strategies, Challenges, and Prospects 10. Environment as an Active Variable in Retrosynthesis of Bioactive Compounds of Therapeutic Importance Part 3: Machine learning and artificial intelligence in API/NCE bioprospection 11. Protein Structure Prediction and Homology Modelling for New Target Discovery. 12. The Scope of AI in Api/Nce Bioprospection: Applications and Limitations 13. Alphafold and AI-Driven Protein Structure Modeling for Drug Bioprospecting: Architecture, Applications and Integration Strategies Part 4: Computer-aided rational API/NCE design and development 14. Computational Aspects of Fungal Bioprospection for Api/Nce Discovery: Challenges and Prospects 15.Computational Aspect of Actinomycetes Bioprospection for Api/Nce: Challenges and Prospects 16. Computational Aspect of Plant Bioprospection for Active Pharmaceutical Ingredients/New Chemical Entity: Challenges and Prospects 17. Recent Advances and Prospects of Computer-Enhanced Drug Design and Development 18. Rational Strategies to Enhance the Development and Effectiveness of Antimicrobials (Antibacterial, Antifungal, and Antiviral Agents) Part 5: Drug repurposing and polypharmacology 19. Overview of the Approaches and Challenges in Drug-Repurposing for New Therapeutics Development 20. Drug Repurposing for Antimicrobial Discovery and Development 21. Drug Repurposing for Antidiabetics Discovery and Development 22. Drug Repositioning in Cancer Therapy 23. Mapping The Unexplored Target Space for Therapeutics Bioprospection Through Network Pharmacology: A Focus on Antidiabetic Drug Profiling 24. Mapping The Unexplored Target Space for Therapeutics Bioprospection Through Network Pharmacology: A Focus on Anticancer Drug Profiling 25. Harnessing Drug Repurposing and Polypharmacology for Therapeutic Innovation in Neglected Tropical Diseases (Ntds)