Author(s): Joe Chou, Roger Lai, Jason Chou, Shelly Fu, Benjamin Chang

Email(s): a0968288562@gmail.com

DOI: 10.52711/0975-4377.2024.00045   

Address: Joe Chou1, Roger Lai2, Jason Chou1, Shelly Fu2, Benjamin Chang1
14th Floor, No. 366-1, Jilong Road Section 1, Taipei, Taiwan.
26F-11, No. 26, Tai-Yuen Street, ChuPei, Hsinchu, Taiwan.
*Corresponding Author

Published In:   Volume - 16,      Issue - 3,     Year - 2024


ABSTRACT:
Recent advancements in AI drug prediction have dramatically improved new drug candidate screening, facilitating more efficient identification of potential compounds. The success of a new drug application (NDA) relies on early-stage drug prediction and screening, preclinical studies,and PK/PD simulation prior to clinical study, underscoring the importance of accurate predictive models. Several essential databases, like Protein Data Bank (PDB), OpenTarget, PubChem, and ChemBL, SwissTarget etc., have made new drug searches easier with the help of fast AI computation, streamlining the drug discovery process. In drug dosage design, the oral formulation is still the most commonly needed due to its convenience in administration, emphasizing the significance of optimizing oral drug formulations for efficacy and patient compliance. Recent reports in oral new drug development have pointed out that PBPK modeling may lead to better prediction of ADME, offering a promising avenue for enhancing the understanding of drug behavior in the body. In addition, an alternative method using a FDA-approved PK database and PAMPA dissolution is also proposed to improve the development of NDA oral formulation, providing complementary approaches for formulation optimization. Therefore, a better prediction of an NCE from AI screening to clinical drug formulation could be conducted to enhance the success rate of oral NDA formulation development, fostering advancements in drug delivery and therapeutic efficacy.


Cite this article:
Joe Chou, Roger Lai, Jason Chou, Shelly Fu, Benjamin Chang. Oral NDA Research from AI Prediction to Clinical Drug Formulation. Research Journal of Pharmaceutical Dosage Forms and Technology.2024; 16(3):289-2. doi: 10.52711/0975-4377.2024.00045

Cite(Electronic):
Joe Chou, Roger Lai, Jason Chou, Shelly Fu, Benjamin Chang. Oral NDA Research from AI Prediction to Clinical Drug Formulation. Research Journal of Pharmaceutical Dosage Forms and Technology.2024; 16(3):289-2. doi: 10.52711/0975-4377.2024.00045   Available on: https://rjpdft.com/AbstractView.aspx?PID=2024-16-3-14


REFERENCES:
1.    Stephen K. Burley,Helen M. Berman. Open-access data: A cornerstone for artificial intelligence approaches to protein structure prediction. Structure 29, June 3, 2021. https://doi.org/10.1016/j.str.2021.04.010
2.    Feng Ren et al. Alpha Fold accelerates artificial intelligence powered drug discovery: efficient discovery ofa novel CDK20 small molecule inhibitor. Chem. Sci. 2023; 14: 1443. DOI: 10.1039/d2sc05709c
3.    Elaine C. Meng et al.UCSF ChimeraX: Tools for structure building and analysis. Protein Science. 2023; 32: e4792.https://doi.org/10.1002/pro.4792
4.    Neera Borkakoti, Janet M. Thornton. Alphafold2 protein structure prediction : Implications for drug discovery. Curr Opin Struct Biol. 2023 February 06.
5.    Michael Davies, Rhys D.O. Jones, Ken Grime, Rasmus Jansson-Löfmark, Adrian J. Fretland, Susanne Winiwarter, Paul Morgan, and Dermot F. McGinnity. Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades. Trends in Pharmacological Sciences. 2020; 41(6). doi:10.1016/j.tips.2020.03.004.
6.    Cheng Li, Tongtong Liu, Xiaoming Cui, Annette S. USS, and K.-C. Cheng. Development of In Vitro Pharmacokinetic Screens using Caco-2, Human Hepatocyte, and Caco-2/Human Hepatocyte Hybrid Systems for the Prediction of Oral Bioavailability in Humans. Journal of Biomolecular Screening.  2007: 1084-1091. doi: 10.1177/1087057107308892.
7.    Sirisha. S. A Review on IVIVC in The Development of Oral Drug Formulation: Data Obtained from Past Two Decades. Res. J. Pharma. Dosage Forms and Tech. 2020; 12(3): 198-204.
8.    AV Bhosale, SR Hardikar, Naresh Patil, Rajesh Jagtap, Nilesh Jamdade, Bhavin Patel. IVIVC and BCS: A Regulatory Perspective. Research J. Pharm. and Tech. 2009; 2(1): 72-79.
9.    Sugano K, Hamada H, Machida M, Ushio H, Saitoh K, Terada K. Optimized conditions of bio-mimetic artificial membrane permeation assay. Int J Pharm. 2001 Oct 9; 228(1-2): 181-8. doi: 10.1016/s0378-5173(01)00845-6. PMID: 11576780.
10.    Jantratid E, Janssen N, Reppas C, Dressman JB. Dissolution media simulating conditions in the proximal human gastrointestinal tract: an update. Pharm Res. 2008 Jul; 25(7): 1663-76. doi: 10.1007/s11095-008-9569-4. Epub 2008 Apr 11. PMID: 18404251.
11.    Manju Nagpal, Pankaj Rakha, Surinder Goyal, Gitika Dhingra, Sunil Gupta. Comparison of Biorelevant and Compendial Dissolution Media and Prediction of In-vivo Plasma Profile of BCS Class II Drug. Research J. Pharma. Dosage Forms and Tech. 2010; 2(1): 37-40 .
12.    Gitika Dhingra, Brinda Sreelesh, Manju Nagpal, Pankaj Rakha, B P Nagori. In-Vitro Dissolution Testing of Ibuprofen Using Compendial and Biorelevant Dissolution Media. Research J. Pharm. and Tech. 2010; 3(3): 931-933.
13.    Sinko, Patrick & Leesman, Glen and Amidon, Gordon. (1991). Predicting Fraction Dose Absorbed in Humans Using a Macroscopic Mass Balance Approach. Pharmaceutical Research. 8. Doi:10.1023/A:1015892621261.
14.    Joe Chou et al. PAMPA Dissolution: An alternative method for oral NDA formulation development. RJPDFT. 2024; 16(2).
15.    Saptarshi Samajdar. In silico ADME prediction of Phytochemicals present in Piper longum. Asian Journal of Research in Pharmaceutical Sciences. 2023; 13(2):89-3.
16.    Pooja Sharma, Navneet Bithel. Phytochemical screening, Antimicrobial potential, ADME predictions Targeting the Helicteres isora L. fruit extracts and their Essential oil. Research Journal of Pharmacy and Technology. 2023; 16(11): 5015-0.
17.    Vishwajit S. Patil, Prithviraj A. Patil. Molecular Docking: A useful approach of Drug Discovery on the Basis of their Structure. Asian Journal of Pharmaceutical Research. 2023; 13(3):191-5.
18.    Soham Pawar, Chaitrali Kulkarni, Puja Gadade, Supriya Pujari, Surajkumar Kakade, S.H. Rohane, V.K. Redasani. Molecular Docking using different Tools. Asian Journal of Pharmaceutical Research. 2023; 13(4): 292-6.
19.    Rutuja P. Pawar, Sachin H. Rohane. Role of Autodock vina in PyRx Molecular Docking. Asian J. Research Chem. 2021; 14(2): 132-134.
20.    Shravani S. Pawar, Sachin H. Rohane. Review on Discovery Studio: An important Tool for Molecular Docking. Asian J. Research Chem. 2021; 14(1): 86-88.
21.    Senem Aykul and Erik Martinez-Hackert. Determination of half-maximal inhibitory concentration using biosensor-based protein interaction analysis. Anal Biochem. 2016 September 1; 508: 97–103. doi:10.1016/j.ab.2016.06.025.
22.    Ryan M. Fryer. Mathematical Derivation of Therapeutic Index Based on hERG IC50 Taking Into Account Fraction Unbound in Plasma and Clinical Cmax. Drug Information Journal.  46(5). DOI: 10.1177/0092861512456285
23.    Xiao-han Song; Jiang Wang; Hong Liu. Lead compound optimization strategy (8) - drug transporters and related drug design strategies. Acta Pharmaceutica Sinica. 2021; 12: 432-444.
24.    Guidance for Industry: Estimating the Maximum Safe Starting Dose in Initial Clinical Trials for Therapeutics in Adult Healthy Volunteers. Center for Drug Evaluation and Research (CDER), USFDA, 2005.


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