Calculation of ADME/T Strategies for Herbal Medicines

Inquiry

The complexity of herbal systems makes it challenging to study them in-depth, and herbal systems pharmacology offers new ideas and perspectives for the study of complex herbal systems. The ADME/T refers to the absorption, distribution, metabolism, and excretion of exogenous chemicals and the toxicity of compounds to the body. Lifeasible has built a computational ADME/T platform that uses computer technology to build models to predict the unknown ADM properties of drugs based on existing in vitro ADME data, thus aiding experimental purposes.

Oral bioavailability is an important indicator to evaluate whether a drug can be developed. We have developed predictive models for this component, including models for P-glycoprotein substrate recognition, oral drug absorption, small intestinal absorption, and metabolism.
Blood-brain barrier (BBB) permeability is also one of the most essential properties of drug molecules, which is directly related to important pharmacokinetic properties and behavior of central nervous system (CNS) drugs such as ADME. It is one of the main reasons for success or failure in drug development. We aim to predict the permeability of the BBB of drugs early in drug development, which is undoubtedly critical for CNS target drugs.
The extent to which a drug is metabolized and cleared depends on the molecule's structure, which in turn affects drug bioavailability. We have developed predictive models of drug metabolism and hepatic clearance, coupling more than 20 ADME processes and employing multi-layer decision-making techniques to ultimately achieve accurate predictions of oral availability.
Toxicological prediction has also become a core component of drug development. In addition to their therapeutic effects on the body, drugs can often affect the normal physiological processes of the body, resulting in toxicity. We, therefore, develop computer models to predict the adverse effects of drug lead molecules on the body, such as hormone receptor interference, carcinogenic toxicity, etc.

Advantages

Comprehensive ADMET property prediction models. Approximately 170 property prediction models are built-in, covering important physicochemical, absorption, distribution, metabolism, toxicity, pharmacokinetic, and other evaluation parameters.
Fast computing speed. Enter a batch of chemical formulas and get immediate results in no time.
Easy to build new activity/property prediction models. Various machine learning-based model-building methods are available, including artificial neural networks, support vector machines, multiple linear regression, partial least squares, and more.

Lifeasible's ADME/T analysis, particularly early in silico ADME/T prediction, in the analysis, exploration, and optimization of herbal combinations, will help you improve the success of your new herbal drug development by identifying the critical chemical components that can be relevant and further optimizing the synthesis of more active drug formulations. Please feel free to contact us for faster access to safe and effective therapeutic drugs.

For research or industrial raw materials, not for personal medical use!