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Gabor.zold (talk · contribs) has been paid by Simcyp.

Article Update Needed – Potentially Outdated Information

Latest comment: 1 year ago1 comment1 person in discussion

Hello,

I've added the

template to this article because some of the information may no longer be current. Specifically, Simcyp Limited was acquired by Certara Inc. in 2012, and it is unclear whether all details about the company, its operations, and its status remain accurate.

I will ideally have some additions for this soon, but if anyone has more recent sources or updates on Simcyp Limited’s current role within Certara, its leadership, or any structural changes, please consider updating the article accordingly. Thanks! ILoveCheesecake7 (talk) 14:59, 2 February 2025 (UTC)Reply

Overview

This edit request by an editor with a conflict of interest was declined.

Hi. My name is Gabor Zold and I work for Simcyp. In compliance with WP:COI, I wanted to propose some content additions for impartial editors to consider. I wanted to start with an expansion of the "Simulator platforms" section (which I suggest just be called "Overview"). The issues with the current section are:

Violates WP:NOTPRICE by listing individual products (which change frequently)
WP:V A lot of the content is uncited or cited to Simcyp-authored papers
Out-dated / incomplete

I propose the below expansion, which is more complete and better cited, if more impartial editors feel it's an improvement. Best regards.

Proposed Overview Section

Overview

Simcyp Simulator is a physiologically based pharmacokinetic modelling (PBPK) tool used by pharmaceutical research and development organizations.^[1]^: 108^[2]^: 853 It has a large database of populations with varying demographics, genetics, and other characteristics it uses to virtually simulate the affects a drug would have on different people, animals, children, or other groups.^[3]^: 103 The Simcyp Simulator is used in a majority of published original research using PBPK,^[1]^{: 110, 112, 113} in studies on virtual bioequivalence^[4]^: 7 and to predict drug-drug interactions.^[1]^: 114

It's also frequently used in submissions to pharmaceutical regulatory agencies.^[4]^: 7 As of 2024, it's used in about 80 percent of PBPK modelling approved by the Food and Drug Administration (FDA).^[5]^: 4 The Simcyp Simulator has won several awards including The Queen’s Award for Enterprise in Innovation and an OSCAR (Outstanding Scientific Contribution to Animal Replacement) from the Dr. Hadwen Trust for Humane Research (the UK’s leading non-animal medical research charity).^[6] In 2025, Simcyp Simulator (V19) was formally qualified by the European Medicines Agency for predicting the average magnitude of drug-drug interactions mediated by CYP enzymes (CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP2D6, AND CYP3A4/5) within three defined contexts of use.^[7]

Simcyp was originally intended to model interactions between drugs, but its scope expands each year based on feedback collected from users at the annual Simcyp Consortium.^[3]^: 103^[8]^{: 218–219} For example, in 2014 it added support for pregnant and obese populations.^[8]^: 219 It also simulates things like people with varying blood flows, metabolisms, and proteins.^[4]^: 7^[9]^: 2059 It's mostly used for "study design, metabolic DDI, and special population" tests.^[1]^: 113 For example, it can be used to see the affects eating and digesting has on the pharmaceutical's effects, to predict how concentrated the drug will be over time,^[8]^: 219^[8]^: 7 or to predict the absorption of the drug into different tissues or organs.^[9]^[2]^: 856

It provides a sizeable library of data on drug compounds and biological physiology and runs them through a "solving engine."^[2]^{: 854–855} "Workspaces" store settings like compounds, populations, and settings. A set of tools change the settings to see how different variables affect the simulation.^[2]^{: 854–855} Simcyp Ltd. is the developer of Simcyp and a part of Certara since it was acquired in 2012.^[10] It is headquartered in Sheffield, United Kingdom. The company was founded in 2001.^[11]

Applications

Metabolism	Identification of the extremes and determinants of population variability in in vivo drug metabolism from in vitro data generated using: Human liver microsomes Human intestinal microsomes Human kidney microsomes Human hepatocytes Recombinant CYP and UGT enzymes
PK profiles	Simulation of full drug and metabolite concentration–time profiles. Prediction of volume of distribution based on lipophilicity, ionisation, protein binding and tissue composition by reference to a 14 organ PBPK model
Drug – drug interactions	Prediction of the extent of metabolically-based drug–drug interactions, allowing simultaneous consideration of: Competitive enzyme inhibition Irreversible, mechanism (time)-based enzyme inhibition (including auto-inhibition) Enzyme-induction (including auto-induction) Multiple interactions (involving up to four drugs plus two metabolites) with complex study designs
Absorption	The Simcyp advanced dissolution absorption and metabolism (ADAM) model incorporates factors influencing the rate and extent of oral drug absorption including: Gastric emptying rate and intestinal and colon transit times Regio- and age-specific luminal pH as it affects ionisation, solubility, chemical stability, permeability, dissolution and precipitation GI tract surface area and regional variation in permeability and enzyme and transporter density Luminal fluid volumes and dynamics Fed versus fasting states It allows evaluation of immediate and modified release formulations and the impact of particle size on dissolution rate
Virtual patient populations	Simcyp population databases include North European Caucasians, Japanese, healthy volunteers (for virtual Phase I studies) as well as obese/morbidly obese individuals and patients with renal impairment (moderate or severe), and liver cirrhosis (Child-Pugh A, B or C)
Trial design	Flexible trial design options facilitate different routes of drug administration and a variety of dosing options including single/multiple dosing and dose staggering
Paediatric	A full PBPK model, supported by extensive libraries on demographics, developmental physiology and the ontogeny of drug elimination pathways allows prediction of PK behaviour in neonates, infants and children
Dermal drug development	The Simcyp Simulator’s multi‐phase multi‐layer mechanistic dermal absorption (MPML MechDermA) model can be used to predict local and systemic exposure of drug products applied on skin.^[12]

References

Latest comment: 1 month ago3 comments2 people in discussion

1 2 3 4 El‐Khateeb, Eman; Burkhill, Susan; Murby, Susan; Amirat, Hamza; Rostami‐Hodjegan, Amin; Ahmad, Amais (2021). "Physiological‐based pharmacokinetic modeling trends in pharmaceutical drug development over the last 20‐years; in‐depth analysis of applications, organizations, and platforms". Biopharmaceutics & Drug Disposition. 42 (4): 107–117. doi:10.1002/bdd.2257. ISSN 0142-2782. Retrieved January 19, 2026.
1 2 3 4 Onasanwo, Anthonia M.; Mittapelly, Naresh; Shireman, Laura; Vinden, Barry; McNally, Kevin; Craig, James; Bois, Frederic Y. (2025). "Using the Simcyp R Package for PBPK Simulation Workflows With the Simcyp Simulator". CPT: Pharmacometrics & Systems Pharmacology. 14 (5): 853–863. doi:10.1002/psp4.70022. ISSN 2163-8306. Retrieved January 19, 2026. Cite error: The named reference "v930" was defined multiple times with different content (see the help page).
1 2 Fisher, Jeffrey W.; Gearhart, Jeffery M.; Lin, Zhoumeng (May 20, 2020). Physiologically Based Pharmacokinetic (PBPK) Modeling: Methods and Applications in Toxicology and Risk Assessment. Academic Press. p. 103. ISBN 978-0-12-819682-3. Retrieved January 19, 2026.
1 2 3 Alotaiq, Nasser; Dermawan, Doni (November 3, 2024). "Advancements in Virtual Bioequivalence: A Systematic Review of Computational Methods and Regulatory Perspectives in the Pharmaceutical Industry". Pharmaceutics. 16 (11): 1414. doi:10.3390/pharmaceutics16111414. ISSN 1999-4923. PMC 11597508. PMID 39598538.
↑ Sun, Zexu; Zhao, Nan; Zhao, Xia; Wang, Ziyang; Liu, Zhaoqian; Cui, Yimin (2024). "Application of physiologically based pharmacokinetic modeling of novel drugs approved by the U.S. food and drug administration". European Journal of Pharmaceutical Sciences. 200: 106838. doi:10.1016/j.ejps.2024.106838. Retrieved February 18, 2026.{{cite journal}}: CS1 maint: article number as page number (link)
↑ "Streamlining drug development by using computational simulations". The University of Sheffield. November 8, 2024. Retrieved May 2, 2026.
↑ "Qualification Opinion for Simcyp Simulator" (PDF). European Medicines Agency. August 1, 2025. Retrieved May 2, 2026.
1 2 3 4 Stanley, L. (2014). Molecular and Cellular Toxicology: An Introduction. Wiley. p. 219. ISBN 978-1-119-95206-0. Retrieved January 19, 2026.
1 2 Mukherjee, Dwaipayan; Collins, Michelle; Dylla, Douglas E.; Kaur, Jatinder; Semizarov, Dimitri; Martinez, Anthony; Conway, Brian; Khan, Tipu; Mostafa, Nael M. (2023). "Assessment of Drug–Drug Interaction Risk Between Intravenous Fentanyl and the Glecaprevir/Pibrentasvir Combination Regimen in Hepatitis C Patients Using Physiologically Based Pharmacokinetic Modeling and Simulations". Infectious Diseases and Therapy. 12 (8): 2057–2070. doi:10.1007/s40121-023-00830-0. ISSN 2193-8229. PMC 10505123. PMID 37470926. Retrieved January 19, 2026.
↑ "UK's Simcyp goes to Certara for US$32 million". PharmaTimes. February 28, 2012. Retrieved May 13, 2026.
↑ "Simcyp Ltd". Private Company Research Reports. buysellsignals. May 5, 2023.
↑ Patel, Nikunjkumar; Clarke, James F.; Salem, Farzaneh; Abdulla, Tariq; Martins, Frederico; Arora, Sumit; Tsakalozou, Eleftheria; Hodgkinson, Arran; Arjmandi‐Tash, Omid; Cristea, Sinziana; Ghosh, Priyanka; Alam, Khondoker; Raney, Sam G.; Jamei, Masoud; Polak, Sebastian (2022). "Multi‐phase multi‐layer mechanistic dermal absorption (MPML MechDermA) model to predict local and systemic exposure of drug products applied on skin". CPT: Pharmacometrics & Systems Pharmacology. 11 (8): 1060–1084. doi:10.1002/psp4.12814. ISSN 2163-8306. PMC 9381913. PMID 35670226. Retrieved May 2, 2026.

Gabor.zold (talk) 16:01, 13 May 2026 (UTC)Reply

Reply 14-JUN-2026

Edit request declined

The journal articles submitted as references have page ranges of approximately 57 pages:

doi:10.1002/bdd.2257 10 pages
doi:10.1002/psp4.70022 10 pages
doi:10.1016/j.ejps.2024.106838 no page(s) indicated
doi:10.1007/s40121-023-00830-0 13 pages
doi:10.1002/psp4.12814 24 pages

Needless to say, the COI editor ought not expect the reviewer to read 57 pages in order to verify 17 separate claims.
To that end, please provide the exact page numbers for these claims. As more than one journal article is being used for upwards of 3 claims each, it may be necessary to utilize the {{rp}} template.
Kindly open a new edit request when ready to proceed with the missing page numbers.

Regards, Spintendo 15:42, 14 June 2026 (UTC)Reply

Hi @Spintendo: No problem. I have revised the above with page numbers. Gabor.zold (talk) 15:12, 23 June 2026 (UTC)Reply

[y904-1] 1 2 3 4 El‐Khateeb, Eman; Burkhill, Susan; Murby, Susan; Amirat, Hamza; Rostami‐Hodjegan, Amin; Ahmad, Amais (2021). "Physiological‐based pharmacokinetic modeling trends in pharmaceutical drug development over the last 20‐years; in‐depth analysis of applications, organizations, and platforms". Biopharmaceutics & Drug Disposition. 42 (4): 107–117. doi:10.1002/bdd.2257. ISSN 0142-2782. Retrieved January 19, 2026.

[v930-2] 1 2 3 4 Onasanwo, Anthonia M.; Mittapelly, Naresh; Shireman, Laura; Vinden, Barry; McNally, Kevin; Craig, James; Bois, Frederic Y. (2025). "Using the Simcyp R Package for PBPK Simulation Workflows With the Simcyp Simulator". CPT: Pharmacometrics & Systems Pharmacology. 14 (5): 853–863. doi:10.1002/psp4.70022. ISSN 2163-8306. Retrieved January 19, 2026. Cite error: The named reference "v930" was defined multiple times with different content (see the help page).

[s483-3] 1 2 Fisher, Jeffrey W.; Gearhart, Jeffery M.; Lin, Zhoumeng (May 20, 2020). Physiologically Based Pharmacokinetic (PBPK) Modeling: Methods and Applications in Toxicology and Risk Assessment. Academic Press. p. 103. ISBN 978-0-12-819682-3. Retrieved January 19, 2026.

[t945-4] 1 2 3 Alotaiq, Nasser; Dermawan, Doni (November 3, 2024). "Advancements in Virtual Bioequivalence: A Systematic Review of Computational Methods and Regulatory Perspectives in the Pharmaceutical Industry". Pharmaceutics. 16 (11): 1414. doi:10.3390/pharmaceutics16111414. ISSN 1999-4923. PMC 11597508. PMID 39598538.

[h105-5] Sun, Zexu; Zhao, Nan; Zhao, Xia; Wang, Ziyang; Liu, Zhaoqian; Cui, Yimin (2024). "Application of physiologically based pharmacokinetic modeling of novel drugs approved by the U.S. food and drug administration". European Journal of Pharmaceutical Sciences. 200: 106838. doi:10.1016/j.ejps.2024.106838. Retrieved February 18, 2026.{{cite journal}}: CS1 maint: article number as page number (link)

[x012-6] "Streamlining drug development by using computational simulations". The University of Sheffield. November 8, 2024. Retrieved May 2, 2026.

[h323-7] "Qualification Opinion for Simcyp Simulator" (PDF). European Medicines Agency. August 1, 2025. Retrieved May 2, 2026.

[w970-8] 1 2 3 4 Stanley, L. (2014). Molecular and Cellular Toxicology: An Introduction. Wiley. p. 219. ISBN 978-1-119-95206-0. Retrieved January 19, 2026.

[d467-9] 1 2 Mukherjee, Dwaipayan; Collins, Michelle; Dylla, Douglas E.; Kaur, Jatinder; Semizarov, Dimitri; Martinez, Anthony; Conway, Brian; Khan, Tipu; Mostafa, Nael M. (2023). "Assessment of Drug–Drug Interaction Risk Between Intravenous Fentanyl and the Glecaprevir/Pibrentasvir Combination Regimen in Hepatitis C Patients Using Physiologically Based Pharmacokinetic Modeling and Simulations". Infectious Diseases and Therapy. 12 (8): 2057–2070. doi:10.1007/s40121-023-00830-0. ISSN 2193-8229. PMC 10505123. PMID 37470926. Retrieved January 19, 2026.

[a898-10] "UK's Simcyp goes to Certara for US$32 million". PharmaTimes. February 28, 2012. Retrieved May 13, 2026.

[11] "Simcyp Ltd". Private Company Research Reports. buysellsignals. May 5, 2023.

[j304-12] Patel, Nikunjkumar; Clarke, James F.; Salem, Farzaneh; Abdulla, Tariq; Martins, Frederico; Arora, Sumit; Tsakalozou, Eleftheria; Hodgkinson, Arran; Arjmandi‐Tash, Omid; Cristea, Sinziana; Ghosh, Priyanka; Alam, Khondoker; Raney, Sam G.; Jamei, Masoud; Polak, Sebastian (2022). "Multi‐phase multi‐layer mechanistic dermal absorption (MPML MechDermA) model to predict local and systemic exposure of drug products applied on skin". CPT: Pharmacometrics & Systems Pharmacology. 11 (8): 1060–1084. doi:10.1002/psp4.12814. ISSN 2163-8306. PMC 9381913. PMID 35670226. Retrieved May 2, 2026.

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This page was redesigned at the edge.

Article Update Needed – Potentially Outdated Information

Overview

Overview

Applications

References

Reply 14-JUN-2026