General Pharmacology

in silico

TRin siliko
Also known as:Computer simulation · virtual experiment

Experiments or studies performed using computer simulations, modeling, or computational methods to predict biological processes without physical testing.

In depth

In silico methods in pharmacology include molecular docking and virtual screening, quantitative structure–activity relationship (QSAR) models, prediction of ADME and toxicity properties, physiologically based pharmacokinetic (PBPK) modelling, population pharmacokinetic and exposure–response modelling, and clinical trial simulation. Major regulators accept PBPK modelling to support some decisions on drug–drug interactions and special populations.

Predictions are only as reliable as the input data and model assumptions, so models must be qualified for their intended use and, where possible, verified experimentally.

Clinical pearl

Model-informed dosing software (for example, Bayesian programs for vancomycin or aminoglycosides) is an in silico tool at the bedside, combining population models with a patient's measured concentrations to individualise the dose.

Example drugs

Vancomycin
TRIn Turkish

in siliko

Bilgisayar simülasyonları, modelleme veya hesaplamalı yöntemler kullanılarak gerçekleştirilen deneyler veya çalışmalar; fiziksel test olmadan biyolojik süreçleri tahmin etmek için kullanılır.

Farmakolojide in siliko yöntemler moleküler kenetlenme (docking) ve sanal taramayı, nicel yapı–aktivite ilişkisi (QSAR) modellerini, ADME ve toksisite özelliklerinin öngörülmesini, fizyoloji temelli farmakokinetik (PBPK) modellemeyi, popülasyon farmakokinetiği ve maruziyet–yanıt modellemesini ve klinik çalışma simülasyonunu kapsar. Büyük düzenleyici otoriteler, ilaç–ilaç etkileşimleri ve özel popülasyonlarla ilgili bazı kararları desteklemek üzere PBPK modellemesini kabul etmektedir.

Öngörüler ancak girdi verileri ve model varsayımları kadar güvenilirdir; bu nedenle modellerin amaçlanan kullanım için yeterliliği gösterilmeli ve mümkün olduğunda deneysel olarak doğrulanmalıdır.

Model temelli dozlama yazılımları (örneğin vankomisin veya aminoglikozitler için Bayesçi programlar), popülasyon modellerini hastanın ölçülen konsantrasyonlarıyla birleştirerek dozu bireyselleştiren, hasta başında kullanılan in siliko araçlardır.

Diğer adları:Bilgisayar simülasyonu · sanal deney
Updated 24.09.2026 15 views Educational reference — verify against current sources before clinical use.

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in vitroin vitro

Experiments or studies performed outside a living organism, typically in a controlled laboratory environment such as a test tube or petri dish using cells, tissues, or biological molecules.

 in vivoin vivo

Experiments or studies conducted within a living organism, such as in animals or humans, to observe effects in a complete biological system.

 Drug Discoveryİlaç Keşfi

The early research process of identifying a disease-relevant biological target and finding and optimizing a molecule that modulates it, to yield a candidate suitable for development.

 Population PharmacokineticsPopülasyon Farmakokinetiği

The study of the sources and magnitude of variability in drug concentrations among individuals in a target patient population, using data pooled from many patients, often with only a few samples each.

 Therapeutic Drug MonitoringTerapötik İlaç İzlemi

The measurement of drug concentrations in blood at defined times, interpreted in the clinical context, to individualise dosing so as to maximise efficacy and minimise toxicity.

 Lead CompoundÖncü Bileşik

A molecule with confirmed, reproducible activity at a chosen target and acceptable drug-like properties that serves as the chemical starting point for optimization into a drug candidate.