000			03244nam a22003257i 4500
005			20250825105005.0
008			250805s2025 flua|||fr|||| 001 0 eng d
020			_a9781774915561
040			_aEG-GaU‬‬ _cEG-GaU‬‬ _dEG-GaU‬‬ _erda
082	0	4	_223 _a572.8 _bC.O.M
245	1	0	_aComputational biology in drug discovery and repurposing / _cedited by Rajani Sharma, A. V. Senthil Kumar, Kunal Kumar.
250			_aFirst edition.
264		1	_aBoca Raton, FL : _bCRC Press, _c2025.
300			_a451 pages : _billustrations ; _c25 cm.
336			_2rdacontent _atext _btxt
337			_2rdamedia _aunmediated _bn
338			_2rdacarrier _avolume _bnc
504			_aIncludes index.
505			_aPart 1: Scientific Approaches to Data Retrieval and the Role of AI – 1. Machine Learning for Drug Designing – 2. Intervention of Artificial Intelligence in Disease Diagnosis | Part 2: Computational Approaches and Bioinformatics Information and Applications – 3. Bioinformatics for Determining the Active Site of the Target Protein – 4. Molecular Docking: A Pertinent Computational Tool in Modern Drug Designing and Discovery – 5. Bioinformatics Tools to Study Homology Modeling – 6. Target-Based Drug Designing – 7. Immunoinformatics in Drug Designing – 8. Chemoinformatics in Drug Designing | Part 3: Drug Repurposing – 9. Drug Repurposing as an Emerging Field in Drug Designing – 10. Databases in Drug Design – 11. Computational Approach for Drug Repurposing | Part 4: Research Applications of CADD and Drug Repurposing – 12. De Novo Drug Design Using Computational Tools: Inhibition of CoaBC for Tuberculosis Treatment as a Case Study – 13. Role of Artificial Intelligence in Retrosynthesis Analysis of Natural Products for Drug Design – 14. Drug Repurposing in the Quest for Newer Therapeutic Options Against Cancer – 15. Computational Approaches to Discover Novel Phytochemical Inhibitors Against SARS‑CoV‑2 – 16. Insights into Computational Repurposing of Drugs for Alzheimer’s Disease – 17. Drug Design and Discovery – 18. Sodium‑Proton Transporter Proteins: Clinical Significance as a Potential Drug Target – 19. Nanoinformatics and Its Role in Drug Designing and Discovery – 20. In Silico Homology Modeling to Identify the Anti‑Inflammatory Proteins from Raphanus sativus and Brassica oleracea.
520			_aThis comprehensive reference explores computational techniques, bioinformatics, machine learning, and AI applications in drug discovery and repurposing. It covers algorithmic approaches, molecular docking, immunoinformatics, chemoinformatics, and nanoinformatics, as well as applications to diseases like cancer, Alzheimer’s, TB, and COVID‑19. It provides both foundational methodology and case study applications.
650		0	_aDrug discovery _xComputer simulation. _962894
650		0	_aBioinformatics _xApplications in drug design. _962895
650		0	_aMedical emergencies _xDiagnosis. _962611
650		0	_aComputational biology. _9364
700	1		_aSharma, Rajani, _eeditor. _962896
700	1		_aSenthil Kumar, A. V., _eeditor. _962897
700	1		_aKumar, Kunal, _eeditor. _962898
942			_2ddc _cBK
999			_c12003 _d12003