9
Views
0
CrossRef citations to date
0
Altmetric
Brief Report

An amalgamation of LC-MS HDX and AI-based software for structure prediction of drug degradation products: An integrated step towards pharmaceutical development

, , , &
Pages 170-177 | Received 04 Nov 2023, Accepted 17 Mar 2024, Published online: 11 Apr 2024

References

  • Jain, D., Basniwal, P.K. (2013). Forced degradation and impurity profiling: Recent trends in analytical perspectives. J. Pharm. Biomed. Anal. 86: 11-35. doi: 10.1016/j.jpba.2013.07.013
  • Internation Council for Harmonization, ICH Q3A(R2), Impurities in New Drug Substances. 2003. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf. (accessed 15 Oct 2023)
  • Internation Council for Harmonization, ICH Q3B (R2), Impurities in New Drug Products. 2006. https://database.ich.org/sites/default/files/Q3B%28R2%29%20Guideline.pdf. (accessed 15 Oct 2023)
  • Singh, S., Handa, T., Narayanam, M., Sahu, A., Junwal, M., Shah, R.P. (2012). A Critical Review on the Use of Modern Sophisticated Hyphenated Tools in the Characterization of Impurities and Degradation Products. J. Pharm. Biomed. Anal. 69: 148-173. doi: 10.1016/j.jpba.2012.03.044
  • Narayanam, M., Handa, T., Sharma, P., Jhajra, S., Muthe, P.K., Dappili, P.K., Shah, R.P., Singh, S. (2013). Critical Practical Aspects in the Application of Liquid Chromatography-Mass Spectro-metric Studies for the Characterization of Impurities and Degradation Products. J. Pharm. Biomed. Anal. 87: 191-217. doi: 10.1016/j.jpba.2013.04.027
  • Singh, S., Bakshi, M. (2000). Guidance on Conduct of Stress Tests to Determine Inherent Stability of Drugs. Pharm. Technol. 24: 1-14.
  • Reynolds, D.W., Facchine, K.L., Mullaney, J.F., Alsante, K.M., Hatajik, T.D., Motto, M.G. (2002). Available Guidance and Best Practices for Conducting Forced Degradation Studies. Pharm. Technol. 26: 48-56.
  • Bakshi, M., Singh, S. (2002). Development of Validated Stability-Indicating Assay Methods-Critical Review. J. Pharm. Biomed. Anal. 28: 1011-40. doi: 10.1016/S0731-7085(02)00047-X
  • Pole, D.L., Ando, H.Y., Murphy, S.T. (2007). Prediction of Drug Degradation products Using DELPHI: An Expert System for Focusing Knowledge. Mol. Pharm. 4: 539-49. doi: 10.1021/mp060103+
  • Kleinman, M.H., Baertschi, S.W., Alsante, K.M., Red, D.L., Mowery, M.D., Shimanovich, R., Foti, C., Smith, W.K., Reynolds, D.W., Nefliu, M., Ott, M.A. (2014). In Silico Prediction of Pharmaceutical Degradation Pathways: A Benchmarking Study. Mol. Pharm. 11: 4179-88. doi: 10.1021/mp5003976
  • Hemingway, R., Baertschi, S.W., Benstead, D., Campbell, J.M., Coombs, M., Huang, Z., Khalaf, R., Ott, M.A., Ponting, D.J., Reid, D.L., Stevenson, N.G., Webb, S.J., White, A., Zelesky, T. (2024). In Silico Prediction of Pharmaceutical Degradation Pathways: A Benchmarking Study Using the Software Program Zeneth. Org Process Res Dev. 28(3): 674-692. doi: 10.1021/acs.oprd.3c00344
  • Thakkar, H., Sharma, K., Goyal, N., Shah, R.P. (2022). LC-HRMS Studies on Ruxolitinib Degradation: A Comprehensive Approach during Drug Development. Anal. Methods. 14: 480-90. doi: 10.1039/D1AY01915E
  • Shah, R.P., Garg, A., Putlur, S.P., Wagh, S., Kumar, V., Rao, V., Singh, S., Mandlekar, S., Desikan, S. (2013). Practical and Economical Implementation of Online H/D Exchange in LC-MS. Anal. Chem. 85: 10904-12. doi: 10.1021/ac402339s
  • Thakkar, H., Jain, S., Kumar, S., Bhalekar, V.S., Gangakhedkar, S., Shah, R.P. (2022). A Hyphenated Liquid Chromatography - Diode Array Detection - Charged Aerosol Detection - High Resolution - Multistage Mass Spectrometry with Online Hydrogen/Deuterium Exchange: One Stop Solution for Pharmaceutical Impurity Profiling. J. Chromatogr. A. 168: 463725.
  • Shah, R.P., Sahu, A., Singh, S. (2013). LC-MS/TOF, LC-MSn, on-Line H/D Exchange and LC-NMR Studies on Rosuvastatin Degradation and in Silico Determination of Toxicity of its Degradation Products: A Comprehensive Approach during Drug Development. Anal. Bioanal. Chem. 405: 3215-31. doi: 10.1007/s00216-013-6760-1
  • Mehta, L., Naved, T., Grover, P., Bhardwaj, M., Mukherjee, D. (2021). LC and LC-MS/MS Studies for Identification and Characterization of New Degradation Products of Ibrutinib and Elucidation of Their Degradation Pathway. J. Pharm. Biomed. Anal. 194: 113768. doi: 10.1016/j.jpba.2020.113768
  • Lu, Y., Shen, X., Hang, T., Song, M. (2017). Identification and characterization of process-related substances and degradation products in apremilast : Process optimization and degradation pathway elucidation. J Pharm Biomed Anal. 141:70-8. doi: 10.1016/j.jpba.2017.03.067
  • Bhole, R.P., Naksakhare, S.R., Bonde, C.G. (2019). A Stability Indicating HPTLC Method for Apremilast and Identification of degradation products using MS/MS. J Pharm Sci Res. 11:1861-9.
  • Vajjha, S., Bommuluri, V., Mohan, K.V.K.P., Rumalla, C.S., Doddipalla, R., Kaliyaperumal, M., Korupolu, R.B. (2019). Degradation studies of Ibrutinib under stress conditions : Characterisation and structural elucidation of novel degradation products. J Pharm Biomed Anal. 172: 9-17. doi: 10.1016/j.jpba.2019.04.010
  • Jain, S., Giri, S., Sharma, N., Shah, R.P. (2021). LC and LC-HRMS studies on stability behavior of molnupiravir an anti-COVID 19 drug. J Liq Chromatogr Relat Technol. 44: 750-9. doi: 10.1080/10826076.2022.2063331
  • Tekade, M.S., Patil, P.M. (2022). Stability Indicating HPTLC Method of Molnupiravir and Comparative Study of Degradation product with Marketed Molnupiravir. Iran J Anal Chem. 9: 71-5.
  • Chandrasekar, N., Sharma, K., Jain, S., Shinde, M., Patil, G., Shah, R.P. (2023). A critical assessment on stability behaviour of Vorinostat using LC-MS-QTOF with H/D exchange and NMR. J Pharm Biomed Anal. 236: 115687. doi: 10.1016/j.jpba.2023.115687
  • Shaik, R., Kamepalli, S. (2021). Method Development Combined with in silico Therapeutic and Toxicology Studies on Palbociclib and its Degradation Products to Assist in Discovery of New Molecule. Int JPharm Investig. 11: 395-402. doi: 10.5530/ijpi.2021.4.71

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.