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The Nature of Nanodisc Lipids Influences Fragment‐Based Drug Discovery Results

Chemical Biology and Drug Design

Drug-membrane interactions can affect the apparent binding stoichiometry and affinity, as well as the kinetics of ligands for a particular target, which is important for the extrapolation to pharmacokinetic studies.

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N‐Substituted‐5‐ [(2,5‐Dihydroxybenzyl)amino]salicylamides as Lavendustin Analogs: Antiproliferative Activity, COMPARE Analyses, Mechanistic, Docking, ADMET and Toxicity Studies

Chemical Biology and Drug Design

Compounds 4 , 5 , 9 11 displayed a remarkable EGFR-TK invitro inhibitory activity, induced apoptosis in NCI-H522 cell line, and showed predicted ADME pharmacokinetic profile. They showed a remarkable invitro EGFR inhibitory activity that was comparable to erlotinib, and a predicted ADME pharmacokinetic profile.

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Targeting Cancer Cell Proliferation Using Piperazine‐Linked Quinolinequinones: Mechanism and Metabolic Profile

Chemical Biology and Drug Design

The host-guest interactions of quinolinequinones were also studied in detail using thorough in silico docking simulations with pharmacokinetic studies. QQ1 inhibited ACHN cell proliferation via cell cycle arrest.

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The evolution of AI in drug discovery: learning from history’s mistakes (Part 2)

Drug Target Review

Having previously drawn parallels with industry adoption of electronic lab notebooks in part 1 , this article expands on his vision for the future of the industry, sharing his forward-thinking ideas and practical recommendations. This breakthrough could fundamentally change how drugs are developed and tested.

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Understanding the Regulatory Environment in Japan for Generic Drug Development

Drug Patent Watch

This article aims to provide a comprehensive overview of the key aspects of the regulatory framework, highlighting the requirements and challenges faced by pharmaceutical companies seeking to introduce generic drugs into the Japanese market.

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In Vitro and In Silico Evaluation of Isatin‐Derived Spirooxindoles as Antituberculosis Drug Candidates

Chemical Biology and Drug Design

Additionally, molecular docking was performed against 22 MTB protein targets to explore possible mechanisms of action, and ADMET predictions were used to determine pharmacokinetic and pharmacodynamic suitability.

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The rising impact of biomarkers in early clinical development

Drug Target Review

As pharmacological indicators, biomarkers overcome the static nature of traditional in vitro cellular studies by providing more dynamic models of pharmacokinetic processes that reflect active biological mechanisms. Trial design and statistical methods are also key to determining the utility and validity of biomarkers.