The IC50 Concept Revisited

  title={The IC50 Concept Revisited},
  author={Gary W. Caldwell and Zhengyin Yan and Wensheng Lang and John A. Masucci},
  journal={Current Topics in Medicinal Chemistry},
A major strategy used in drug design is the inhibition of enzyme activity. The ability to accurately measure the concentration of the inhibitor which is required to inhibit a given biological or biochemical function by half is extremely important in ranking compounds. Since the concept of the half maximal inhibitory concentration (IC50) is used extensively for studying reversible inhibition enzymatic reactions, it is important to clearly understand the experimental design and the mathematical… 

Understanding the molecular mechanism for the differential inhibitory activities of compounds against MTH1

The MD researches indicate that TH287 maintains significant hydrogen bonds with Asn33 and Asp119, stabilizes the binding site, and induces MTH1 adopt a closed motion, leading to a high inhibitory activity.

Bioinformatics online support for bioactive substances cytotoxicity testing and their statistical analysis

It can be concluded that BAS of different origin, chemical or natural, have various cytotoxic effects and cause different cell line sensitivity, which is presented and discussed.

Drug discovery for enzymes.

  • A. Rufer
  • Biology, Chemistry
    Drug discovery today
  • 2021

In silico tools used for compound selection during target-based drug discovery and development

It is suggested that further development of in silico multiparameter models and organizing biologists, medicinal and computational chemists into one team with a single accountable objective to expand the utilization of insilico tools in all phases of drug discovery would improve R&D productivity.

Synthesis of the 1,5‐Benzothiazepane Scaffold – Established Methods and New Developments

An overview of different synthetic approaches toward 1,5‐benzothiazepane and its derivatives is provided, ranging from established protocols to recent (enantioselective) methods that promote sustainability.

Ligand potency - an essential estimator for drug design: between intuition, misinterpretation and serendipity.

This is a review of developments in the field of potency, which is an essential estimator for drug design, and discusses the basic concepts of research and discovery, focusing on how misinterpretation in this area helped pave a bumpy road towards better drugs.

Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds

An attempt has been made to develop Machine Learning based predictive models that can be used to assess whether a compound has the potency to be antiviral or not to explore the importance of structurally diverse compounds in data driven studies.