相关实验视频

Updated: Mar 7, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.4K

扩大药物组合表面预测的规模.

Riikka Huusari1, Tianduanyi Wang1,2, Sandor Szedmak1

  • 1Department of Computer Science, Aalto University, Otakaari 1B, FI-00076 Espoo, Finland.

Briefings in bioinformatics
|March 13, 2025
PubMed
概括

机器学习模型更有效地预测药物组合反应,通过预测整个剂量-反应表面,而不仅仅是协同效应得分. 这种方法通过优先考虑有效的药物组合来增强癌症治疗策略.

关键词:
药物组合的预测和预测.药物相互作用的表面.核心方法 核心方法结构化的输出预测预测.

更多相关视频

Diagonal Method to Measure Synergy Among Any Number of Drugs12:08

Diagonal Method to Measure Synergy Among Any Number of Drugs

Published on: June 21, 2018

19.7K
High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method07:51

High-throughput Identification of Synergistic Drug Combinations by the Overlap2 Method

Published on: May 21, 2018

12.8K

相关概念视频

Pharmacodynamic Models: Additive and Proportional Drug Effect Model01:09

Pharmacodynamic Models: Additive and Proportional Drug Effect Model

Drug response models describe how pharmacological agents interact with biological systems to produce measurable effects. Baseline responses are inherent physiological activities without a drug significantly influencing the observed pharmacological outcomes. Depending on the drug response model employed, these baseline responses may combine with the drug's effect in either an additive or proportional manner.Additive Drug Response ModelIn the additive model, the drug effect is independent of the...
49
Pharmacokinetic–Pharmacodynamic Relationship: Problems01:24

Pharmacokinetic–Pharmacodynamic Relationship: Problems

The empirical approach to drug therapy optimization relies on correlating pharmacological response with administered dosage. Such an approach can be costly, time-consuming, and often yields poor correlation due to variables like formulation factors and drug elimination characteristics. A more precise approach correlates response with plasma drug concentration or the amount of drug in the body, rather than dosage. This is achieved through pharmacokinetic-pharmacodynamic (PK/PD) modeling, which...
49
Pharmacodynamic Models: Emax Drug–Concentration Effect Model01:18

Pharmacodynamic Models: Emax Drug–Concentration Effect Model

The Emax drug-concentration effect model is central to pharmacodynamics in drug discovery and development. This model is predicated on the receptor occupancy theory, which posits that the effect of a drug is directly related to the number of receptors occupied by the drug and the resultant complex formation.The model describes the reversible interaction between a drug (C) and a receptor (R) to form a drug-receptor complex (RC). The kinetics of this interaction are quantified by an equation that...
93
Pharmacokinetic–Pharmacodynamic Relationship: Dose to Pharmacological Effect01:28

Pharmacokinetic–Pharmacodynamic Relationship: Dose to Pharmacological Effect

A drug’s dosage and pharmacokinetic properties determine how quickly it acts, how intense its effects are, and how long it lasts. Higher doses increase drug concentration at receptor sites, producing a hyperbolic curve when pharmacologic response is plotted against drug dose. Converting this scale to a log-linear format results in a sigmoidal curve, better representing dose–response relationships.For drugs following a one-compartment model, the pharmacologic response is directly...
69
Combined Effects of Drugs: Synergism01:27

Combined Effects of Drugs: Synergism

Synergism is a useful mechanism where combining two or more drugs is more effective than each constituent used alone. Such combinations are also called supra-additive interactions. The drugs collectively enhance the final therapeutic effect by acting on different targets. Another advantage is that the low dose of each constituent drug is sufficient to achieve the desired effect. This helps reduce the duration of therapy and lower the adverse effects of these drugs.
Such synergistic combinations...
7.1K
Factors Affecting Dissolution: Particle Size and Effective Surface Area01:23

Factors Affecting Dissolution: Particle Size and Effective Surface Area

Dissolution kinetics, an essential aspect of oral drug delivery, is significantly influenced by the drug's particle size. According to the Noyes-Whitney dissolution model, the dissolution rate correlates directly with the drug's surface area. The larger the surface area, the higher the drug's solubility in water, leading to a faster drug dissolution rate. Reducing particle size increases the effective surface area, enhancing the dissolution process. Micronization and nanosizing are...
1.8K