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Updated: Aug 20, 2026

Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
Improving the decision-making process in the structural modification of drug candidates: enhancing metabolic
Alaa-Eldin F Nassar1, Amin M Kamel, Caroline Clarimont
1Vion Pharmaceuticals, New Haven, CT, USA. NassarAl@aol.com
Abstract:
The activity-exposure-toxicity relationship, which can be described as "the rule of three", presents the single most difficult challenge in the design of drug candidates and their subsequent advancement to the development stage. ADME studies are widely used in drug discovery to optimize the balance of properties necessary to convert lead candidates into drugs that are safe and effective for humans. Metabolite characterization has become one of the key drivers of the drug discovery process, helping to optimize ADME properties and increase the success rate for drugs. Various strategies can influence drug design in the decision-making process in the structural modification of drug candidates to reduce metabolic instability.
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