Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body
Primena fiziološki zasnovanog modelovanja u razvoju inovativnih lekova: digitalni prozor u putovanje leka kroz organizam
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The application of computer-based (in silico) modeling&simulation tools has become a
global trend in different areas of science, including pharmaceutical sciences. These methods
have been increasingly used in different phases of formulation development, starting with
defining a sound formulation strategy, through the selection of drug dose and optimal
formulation for clinical studies, to the prediction of drug absorption/disposition in different
populations, identification of potential drug-drug interactions, prediction of bioequivalence
study outcomes and justification of biowaivers (1). In silico tools for the prediction of drug
bioperformance incorporate the so called physiologically-based models i.e., systems of data
on physiological conditions and processes a drug undergoes in the organism, with an
adequate mathematical background to describe these processes. As such, these models allow
prediction of the expected therapeutic outcomes following drug administration, and of...fer a
distinctive opportunity to test hypotheses and identify the underlying mechanisms
responsible for the phenomena a drug undergoes in vivo. In other words, they act as a digital
window to “drug’s journey through the body”. Physiologically-based models have been
upgraded continuously, and relatively simple models evolved into the model-based drug
development platforms, initiating a transformational change in drug formulation
research&development. Opposed to the traditional “trial&error” methods, the outcomes of in
silico modeling are based on the knowledge of in vivo processes, and planning of the optimal
formulation strategy depending on drug biopharmaceutical properties and physiological
characteristics of the target population. The selected examples will demonstrate the basic
principles of in silico modeling in the development of pharmaceutical formulations.
Primena računarski podržanih (in silico) metoda modelovanja i simulacija postala je
globalni trend u različitim oblastima nauke, uključujući i farmaceutske nauke. Poslednjih
godina ove metode nalaze sve širu primenu u različitim fazama razvoja leka, od definisanja
strategije za razvoj formulacije, preko izbora odgovarajuće doze leka i optimalne formulacije
za kliničke studije, do predviđanja apsorpcije i dispozicije leka u različitim populacijama
pacijenta, identifikacije potencijalnih lek-lek interakcija, predviđanja ishoda studija biološke
ekvivalencije i argumentovanja biowaiver-a (1). Programi za in silico simulaciju/predviđanje
“ponašanja leka u organizmu” predstavljaju tzv. fiziološki-zasnovane modele, bazirane na
saznanjima o fiziološkim uslovima i procesima kojima lek podleže u organizmu, kao i
primeni odgovarajućih matematičkih relacija kojima je ove procese moguće opisati. Stoga
predstavljaju korisno sredstvo, ne samo za predviđanje očekivanih terapijskih ishoda koj...i
prate primenu leka, već i za testiranje hipoteza, odnosno, identifikaciju mehanizama koji su
odgovorni za fenomene kojima lek podleže in vivo. Drugim rečima, predstavljaju digitalni
prozor u “putovanje leka kroz organizam”. Fiziološki-zasnovani modeli se kontinuirano
unapređuju, te su relativno jednostavni modeli evolirali u tzv. model-zasnovane platforme za
razvoj lekova, što je na neki način pokrenulo revoluciju u oblasti istraživanja i razvoja lekova.
Za razliku od tradicionalnih metoda „pokušaja i greške“, ishodi in silico modelovanja su
zasnovani na poznavanju procesa koji se dešavaju in vivo i planiranju optimalne strategije za
razvoj formulacije, u zavisnosti od biofarmaceutskih svojstava lekovite supstance i
fizioloških karakteristika ciljane populacije pacijenata. U ovom izlaganju će, na odabranim
primerima, biti prikazani osnovni principi in silico modelovanja u razvoju formulacija
farmaceutskih preparata.
Izvor:
Arhiv za farmaciju, 2022, 72, 4 suplement, S81-S82Izdavač:
- Savez farmaceutskih udruženja Srbije (SFUS)
Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200161 (Univerzitet u Beogradu, Farmaceutski fakultet) (RS-MESTD-inst-2020-200161)
Napomena:
- VIII Kongres farmaceuta Srbije sa međunarodnim učešćem, 12-15.10.2022. Beograd
Institucija/grupa
PharmacyTY - CONF AU - Cvijić, Sandra PY - 2022 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4455 AB - The application of computer-based (in silico) modeling&simulation tools has become a global trend in different areas of science, including pharmaceutical sciences. These methods have been increasingly used in different phases of formulation development, starting with defining a sound formulation strategy, through the selection of drug dose and optimal formulation for clinical studies, to the prediction of drug absorption/disposition in different populations, identification of potential drug-drug interactions, prediction of bioequivalence study outcomes and justification of biowaivers (1). In silico tools for the prediction of drug bioperformance incorporate the so called physiologically-based models i.e., systems of data on physiological conditions and processes a drug undergoes in the organism, with an adequate mathematical background to describe these processes. As such, these models allow prediction of the expected therapeutic outcomes following drug administration, and offer a distinctive opportunity to test hypotheses and identify the underlying mechanisms responsible for the phenomena a drug undergoes in vivo. In other words, they act as a digital window to “drug’s journey through the body”. Physiologically-based models have been upgraded continuously, and relatively simple models evolved into the model-based drug development platforms, initiating a transformational change in drug formulation research&development. Opposed to the traditional “trial&error” methods, the outcomes of in silico modeling are based on the knowledge of in vivo processes, and planning of the optimal formulation strategy depending on drug biopharmaceutical properties and physiological characteristics of the target population. The selected examples will demonstrate the basic principles of in silico modeling in the development of pharmaceutical formulations. AB - Primena računarski podržanih (in silico) metoda modelovanja i simulacija postala je globalni trend u različitim oblastima nauke, uključujući i farmaceutske nauke. Poslednjih godina ove metode nalaze sve širu primenu u različitim fazama razvoja leka, od definisanja strategije za razvoj formulacije, preko izbora odgovarajuće doze leka i optimalne formulacije za kliničke studije, do predviđanja apsorpcije i dispozicije leka u različitim populacijama pacijenta, identifikacije potencijalnih lek-lek interakcija, predviđanja ishoda studija biološke ekvivalencije i argumentovanja biowaiver-a (1). Programi za in silico simulaciju/predviđanje “ponašanja leka u organizmu” predstavljaju tzv. fiziološki-zasnovane modele, bazirane na saznanjima o fiziološkim uslovima i procesima kojima lek podleže u organizmu, kao i primeni odgovarajućih matematičkih relacija kojima je ove procese moguće opisati. Stoga predstavljaju korisno sredstvo, ne samo za predviđanje očekivanih terapijskih ishoda koji prate primenu leka, već i za testiranje hipoteza, odnosno, identifikaciju mehanizama koji su odgovorni za fenomene kojima lek podleže in vivo. Drugim rečima, predstavljaju digitalni prozor u “putovanje leka kroz organizam”. Fiziološki-zasnovani modeli se kontinuirano unapređuju, te su relativno jednostavni modeli evolirali u tzv. model-zasnovane platforme za razvoj lekova, što je na neki način pokrenulo revoluciju u oblasti istraživanja i razvoja lekova. Za razliku od tradicionalnih metoda „pokušaja i greške“, ishodi in silico modelovanja su zasnovani na poznavanju procesa koji se dešavaju in vivo i planiranju optimalne strategije za razvoj formulacije, u zavisnosti od biofarmaceutskih svojstava lekovite supstance i fizioloških karakteristika ciljane populacije pacijenata. U ovom izlaganju će, na odabranim primerima, biti prikazani osnovni principi in silico modelovanja u razvoju formulacija farmaceutskih preparata. PB - Savez farmaceutskih udruženja Srbije (SFUS) C3 - Arhiv za farmaciju T1 - Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body T1 - Primena fiziološki zasnovanog modelovanja u razvoju inovativnih lekova: digitalni prozor u putovanje leka kroz organizam VL - 72 IS - 4 suplement SP - S81 EP - S82 UR - https://hdl.handle.net/21.15107/rcub_farfar_4455 ER -
@conference{ author = "Cvijić, Sandra", year = "2022", abstract = "The application of computer-based (in silico) modeling&simulation tools has become a global trend in different areas of science, including pharmaceutical sciences. These methods have been increasingly used in different phases of formulation development, starting with defining a sound formulation strategy, through the selection of drug dose and optimal formulation for clinical studies, to the prediction of drug absorption/disposition in different populations, identification of potential drug-drug interactions, prediction of bioequivalence study outcomes and justification of biowaivers (1). In silico tools for the prediction of drug bioperformance incorporate the so called physiologically-based models i.e., systems of data on physiological conditions and processes a drug undergoes in the organism, with an adequate mathematical background to describe these processes. As such, these models allow prediction of the expected therapeutic outcomes following drug administration, and offer a distinctive opportunity to test hypotheses and identify the underlying mechanisms responsible for the phenomena a drug undergoes in vivo. In other words, they act as a digital window to “drug’s journey through the body”. Physiologically-based models have been upgraded continuously, and relatively simple models evolved into the model-based drug development platforms, initiating a transformational change in drug formulation research&development. Opposed to the traditional “trial&error” methods, the outcomes of in silico modeling are based on the knowledge of in vivo processes, and planning of the optimal formulation strategy depending on drug biopharmaceutical properties and physiological characteristics of the target population. The selected examples will demonstrate the basic principles of in silico modeling in the development of pharmaceutical formulations., Primena računarski podržanih (in silico) metoda modelovanja i simulacija postala je globalni trend u različitim oblastima nauke, uključujući i farmaceutske nauke. Poslednjih godina ove metode nalaze sve širu primenu u različitim fazama razvoja leka, od definisanja strategije za razvoj formulacije, preko izbora odgovarajuće doze leka i optimalne formulacije za kliničke studije, do predviđanja apsorpcije i dispozicije leka u različitim populacijama pacijenta, identifikacije potencijalnih lek-lek interakcija, predviđanja ishoda studija biološke ekvivalencije i argumentovanja biowaiver-a (1). Programi za in silico simulaciju/predviđanje “ponašanja leka u organizmu” predstavljaju tzv. fiziološki-zasnovane modele, bazirane na saznanjima o fiziološkim uslovima i procesima kojima lek podleže u organizmu, kao i primeni odgovarajućih matematičkih relacija kojima je ove procese moguće opisati. Stoga predstavljaju korisno sredstvo, ne samo za predviđanje očekivanih terapijskih ishoda koji prate primenu leka, već i za testiranje hipoteza, odnosno, identifikaciju mehanizama koji su odgovorni za fenomene kojima lek podleže in vivo. Drugim rečima, predstavljaju digitalni prozor u “putovanje leka kroz organizam”. Fiziološki-zasnovani modeli se kontinuirano unapređuju, te su relativno jednostavni modeli evolirali u tzv. model-zasnovane platforme za razvoj lekova, što je na neki način pokrenulo revoluciju u oblasti istraživanja i razvoja lekova. Za razliku od tradicionalnih metoda „pokušaja i greške“, ishodi in silico modelovanja su zasnovani na poznavanju procesa koji se dešavaju in vivo i planiranju optimalne strategije za razvoj formulacije, u zavisnosti od biofarmaceutskih svojstava lekovite supstance i fizioloških karakteristika ciljane populacije pacijenata. U ovom izlaganju će, na odabranim primerima, biti prikazani osnovni principi in silico modelovanja u razvoju formulacija farmaceutskih preparata.", publisher = "Savez farmaceutskih udruženja Srbije (SFUS)", journal = "Arhiv za farmaciju", title = "Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body, Primena fiziološki zasnovanog modelovanja u razvoju inovativnih lekova: digitalni prozor u putovanje leka kroz organizam", volume = "72", number = "4 suplement", pages = "S81-S82", url = "https://hdl.handle.net/21.15107/rcub_farfar_4455" }
Cvijić, S.. (2022). Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body. in Arhiv za farmaciju Savez farmaceutskih udruženja Srbije (SFUS)., 72(4 suplement), S81-S82. https://hdl.handle.net/21.15107/rcub_farfar_4455
Cvijić S. Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body. in Arhiv za farmaciju. 2022;72(4 suplement):S81-S82. https://hdl.handle.net/21.15107/rcub_farfar_4455 .
Cvijić, Sandra, "Physiologically based modeling in the development of novel drugs: Digital window to drug’s journey through the body" in Arhiv za farmaciju, 72, no. 4 suplement (2022):S81-S82, https://hdl.handle.net/21.15107/rcub_farfar_4455 .