Machine learning in accelerating microsphere formulation development

O’Brien MN, Jiang W, Wang Y, Loffredo DM. Challenges and opportunities in the development of complex generic long-acting injectable drug products. J Control Release. 2021;336:144–58.

Article  CAS  PubMed  Google Scholar 

Burgess DJ, Wright JC. An introduction to long acting injections and implants. In: Wright JC, Burgess DJ, editors. Long Acting Injections and Implants. US, Boston, MA: Springer; 2012. p. 1–9.

Google Scholar 

Wang Y, Burgess DJ. Microsphere Technologies. In: Wright JC, Burgess DJ, editors. Long acting injections and implants. US, Boston, MA: Springer; 2012. p. 167–94.

Chapter  Google Scholar 

Wong CY, Al-Salami H, Dass CR. Microparticles, microcapsules and microspheres: a review of recent developments and prospects for oral delivery of insulin. Int J Pharm. 2018;537:223–44.

Article  CAS  PubMed  Google Scholar 

Su Y, Zhang B, Sun R, Liu W, Zhu Q, Zhang X, Wang R, Chen C. PLGA-based biodegradable microspheres in drug delivery: recent advances in research and application. Drug Deliv. 2021;28:1397–418.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Göpferich A. Mechanisms of polymer degradation and erosion. Biomaterials. 1996;17:103–14.

Article  PubMed  Google Scholar 

Yoo J, Won Y-Y. Phenomenology of the initial burst release of drugs from PLGA microparticles. ACS Biomater Sci Eng. 2020;6:6053–62.

Article  CAS  PubMed  Google Scholar 

Fredenberg S, Wahlgren M, Reslow M, Axelsson A. The mechanisms of drug release in poly(lactic-co-glycolic acid)-based drug delivery systems—a review. Int J Pharm. 2011;415:34–52.

Article  CAS  PubMed  Google Scholar 

Wang Y, Qu W, Choi SH. FDA’s regulatory science program for generic PLA/ PLGA-based drug products. Am Pharm Rev. 2016.

Burgess DJ, Crommelin DJA, Hussain AS, Chen M-L. Assuring quality and performance of sustained and controlled release parenterals. Eur J Pharm Sci. 2004;21:679–90.

Article  CAS  PubMed  Google Scholar 

Lundström EA, Rencken RK, van Wyk JH, Coetzee LJ, Bahlmann JC, Reif S, Strasheim EA, Bigalke MC, Pontin AR, Goedhals L, Steyn DG, Heyns CF, Aldera LA, Mackenzie TM, Purcea D, Grosgurin PY, Porchet HC. Triptorelin 6-month formulation in the management of patients with locally advanced and metastatic prostate cancer: an open-label, non-comparative, multicentre, phase III study. Clin Drug Investig. 2009;29:757–65.

Article  PubMed  Google Scholar 

Vamathevan J, Clark D, Czodrowski P, Dunham I, Ferran E, Lee G, Li B, Madabhushi A, Shah P, Spitzer M, Zhao S. Applications of machine learning in drug discovery and development. Nat Rev Drug Discovery. 2019;18:463–77.

Article  CAS  PubMed  Google Scholar 

Han R, Xiong H, Ye Z, Yang Y, Huang T, Jing Q, Lu J, Pan H, Ren F, Ouyang D. Predicting physical stability of solid dispersions by machine learning techniques. J Control Release. 2019;311–312:16–25.

Article  PubMed  Google Scholar 

Gao H, Wang W, Dong J, Ye Z, Ouyang D. An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design. Eur J Pharm Biopharm. 2021;158:336–46.

Article  CAS  PubMed  Google Scholar 

He Y, Ye Z, Liu X, Wei Z, Qiu F, Li H-F, Zheng Y, Ouyang D. Can machine learning predict drug nanocrystals? J Control Release. 2020;322:274–85.

Article  CAS  PubMed  Google Scholar 

Wang W, Feng S, Ye Z, Gao H, Lin J, Ouyang D. Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm. Acta Pharm Sin B. 2021.

Gao H, Jia H, Dong J, Yang X, Li H, Ouyang D. Integrated in silico formulation design of self-emulsifying drug delivery systems. Acta Pharmaceutica Sinica B. 2021.

Ye Z, Yang W, Yang Y, Ouyang D. Interpretable machine learning methods for in vitro pharmaceutical formulation development, Food. Frontiers. 2021;2:195–207.

CAS  Google Scholar 

Versypt AN, Pack DW, Braatz RD. Mathematical modeling of drug delivery from autocatalytically degradable PLGA microspheres — a review. J Controlled Rel. 2013;165:29–37.

Zawbaa HM, Szlȩk J, Grosan C, Jachowicz R, Mendyk A. Computational intelligence modeling of the macromolecules release from PLGA microspheres-focus on feature selection. PLoS ONE. 2016;11: e0157610.

Article  PubMed  PubMed Central  Google Scholar 

Rodrigues de Azevedo C, von Stosch M, Costa MS, Ramos AM, Cardoso MM, Danhier F, Préat V, Oliveira R. Modeling of the burst release from PLGA micro- and nanoparticles as function of physicochemical parameters and formulation characteristics. Int J Pharm. 2017;532:229–40.

Article  CAS  PubMed  Google Scholar 

Bannigan P, Häse F, Aldeghi M, Bao Z, Aspuru-Guzik A, Allen C. Machine learning predictions of drug release from polymeric long acting injectables. ChemRxiv. Cambridge: Cambridge Open Engage. 2021.

Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P, Palyulin VA, Radchenko EV, Zefirov NS, Makarenko AS, Tanchuk VY, Prokopenko VV. Virtual computational chemistry laboratory – design and description. J Comput Aided Mol Des. 2005;19:453–63.

Article  CAS  PubMed  Google Scholar 

Han R, Yang Y, Li X, Ouyang D. Predicting oral disintegrating tablet formulations by neural network techniques, Asian. J Pharm Sci. 2018;13:336–42.

Google Scholar 

Yang Y, Ye Z, Su Y, Zhao Q, Li X, Ouyang D. Deep learning for in vitro prediction of pharmaceutical formulations. Acta Pharm Sin B. 2018.

Shah VP, Tsong Y, Sathe P, Liu J-P. In vitro dissolution profile comparison—statistics and analysis of the similarity factor, f2. Pharm Res. 1998;15:889–96.

Article  CAS  PubMed  Google Scholar 

FDA, Guidance for Industry. SUPAC‐IR. Immediate release solid oral dosage forms. Scale‐up and post approval changes. Chemistry, manufacturing and controls. In vitro dissolution testing and in vivo bioequivalence documentation. 1995.

Bastien F, Lamblin P, Pascanu R, Bergstra J, Goodfellow I, Bergeron A, Bouchard N, Warde-Farley D, Bengio Y. Theano: new features and speed improvements. 2012. arXiv:1211.5590.

Abadi M, Barham P, Chen J, Chen Z, Davis A, Dean J, Devin M, Ghemawat S, Irving G, Isard M, Kudlur M, Levenberg J, Monga R, Moore S, Murray DG, Steiner B, Tucker P, Vasudevan V,  Warden P, Wicke M, Yu Y, Zheng X. TensorFlow: a system for large-scale machine learning. In: Proc 12th USENIX Conf Operating Sys Des Implement, USENIX Association, Savannah, GA, USA. 2016;265–283.

Lei T, Li Y, Song Y, Li D, Sun H, Hou T. ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling, Journal of cheminformatics. 2016;8:6.

PubMed  Google Scholar 

Wang Y, Huang W, Wang N, Ouyang D, Xiao L, Zhang S, Ou X, He T, Yu R, Song L. Development of arteannuin B sustained-release microspheres for anti-tumor therapy by integrated experimental and molecular modeling approaches Pharmaceutics. 2021;13.

Wang J, Wolf RM, Caldwell JW, Kollman PA, Case DA. Development and testing of a general amber force field 2004;25:1157–1174.

Jakalian A, Bush BL, Jack DB, Bayly CI. Fast, efficient generation of high-quality atomic charges. AM1-BCC Model: I Method, J Comput Chem. 2000;21:132–146.

Martínez L, Andrade R, Birgin EG, Martínez JM. PACKMOL: a package for building initial configurations for molecular dynamics simulations. J Comput Chem. 2009;30:2157–64.

Article  PubMed  Google Scholar 

Humphrey W, Dalke A, Schulten K. VMD: visual molecular dynamics. 1996;14:33–38.

Liu J, Li D, Liu X. A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat. J Chem Phys. 2016;145.

Berendsen HJ, Postma JV, Van Gunsteren WF, DiNola AR, Haak JR. Molecular dynamics with coupling to an external bath. 1984;81:3684–3690.

Park K, Skidmore S, Hadar J, Garner J, Park H, Otte A, Soh BK, Yoon G, Yu D, Yun Y, Lee BK, Jiang X, Wang Y. Injectable, long-acting PLGA formulations: analyzing PLGA and understanding microparticle formation. J Control Release. 2019;304:125–34.

Article  CAS  PubMed  Google Scholar 

Skiveren J, Nordahl Larsen H, Kjaerby E, Larsen R. The influence of needle size on pain perception in patients treated with botulinum toxin A injections for axillary hyperhidrosis. Acta dermato-venereologica. 2011;91:72–74.

Gill HS, Prausnitz MR. Does needle size matter? J Diabetes Sci Technol. 2007;1:725–9.

Article  PubMed  PubMed Central  Google Scholar 

Haas P, Falkner-Radler C, Wimpissinger B, Malina M, Binder S. Needle size in intravitreal injections - pain evaluation of a randomized clinical trial. Acta Ophthalmol. 2016;94:198–202.

Article  PubMed  Google Scholar 

Wischke C, Schwendeman SP. Principles of encapsulating hydrophobic drugs in PLA/PLGA microparticles. Int J Pharm. 2008;364:298–327.

Article  CAS  PubMed  Google Scholar 

Wang J, Wang BM, Schwendeman SP. Characterization of the initial burst release of a model peptide from poly(d, l-lactide-co-glycolide) microspheres. J Control Release. 2002;82:289–307.

Article  CAS  PubMed  Google Scholar 

Flory PJ. Thermodynamics of high polymer solutions. J Chem Phys. 1941;9:660–1.

Article  CAS  Google Scholar 

Flory PJ, Krigbaum WR. Statistical mechanics of dilute polymer solutions II. 1950;18:1086–1094.

Zolnik BS, Leary PE, Burgess DJ. Elevated temperature accelerated release testing of PLGA microspheres. J Control Release. 2006;112:293–300.

Article  CAS  PubMed  Google Scholar 

Yeo Y, Park K. Control of encapsulation efficiency and initial burst in polymeric microparticle systems. Arch Pharmacal Res. 2004;27:1.

Article  CAS  Google Scholar 

Rosca ID, Watari F, Uo M. Microparticle formation and its mechanism in single and double emulsion solvent evaporation. J Control Release. 2004;99:271–80.

Article  CAS  PubMed  Google Scholar 

Shrivastava A. 1 - Introduction to plastics engineering. In: Shrivastava A, editor. Introduction to Plastics Engineering. William Andrew Publishing; 2018. p. 1–16.

Google Scholar 

Prudic A, Lesniak AK, Ji Y, Sadowski G. Thermodynamic phase behaviour of indomethacin/PLGA formulations. Eur J Pharm Biopharm: Official J Arbeitsgemeinschaft Fur Pharmazeutische Verfahrenstechnik e.V. 2015;93:88–94.

Rawat A, Bhardwaj U, Burgess DJ. Comparison of in vitro–in vivo release of Risperdal® Consta® microspheres. Int J Pharm. 2012;434:115–21.

Andhariya JV, Burgess DJ. Recent advances in testing of microsphere drug delivery systems. Expert Opin Drug Deliv. 2016;13:593–608.

Article  CAS  PubMed  Google Scholar 

Shen J, Lee K, Choi S, Qu W, Wang Y, Burgess DJ. A reproducible accelerated in vitro release testing method for PLGA microspheres. Int J Pharm. 2016;498:274–82.

Park K, Otte A, Sharifi F, Garner J, Skidmore S, Park H, Jhon YK, Qin B, Wang Y. Potential roles of the glass transition temperature of PLGA microparticles in drug release kinetics. Mol Pharm. 2021;18:18–32.

Article  CAS  PubMed  Google Scholar 

Struik LCE. Physical aging in amorphous polymers and other materials. 1977.

Yoshioka T, Kawazoe N, Tateishi T, Chen GJMM. Engineering. Effects of structural change induced by physical aging on the biodegradation behavior of PLGA films at physiological temperature. 2011;296:1028–34.

CAS  Google Scholar 

留言 (0)

沒有登入
gif