Work

Integrated experimental and computational study of a novel indenonaphthodiazepine[5.3.3]propellane as a potential inhibitor of Mcl-1

Year: 2026

Type: article

Abstract: absorption, distribution, metabolism, excretion, and toxicity (ADMET) evaluation indicated full compliance with Lipinski's and Veber's criteria, high human intestinal absorption (>95%), and no predicted hERG or liver toxicity. Crucially, while AMG-176 was predicted to inhibit CYP3A4, the propellane showed no CYP3A4 inhibition, suggesting a lower potential for drug-drug interactions. These data demonstrate that this propellane framework serves as a promising starting point for Mcl-1 targeted drug discovery.

Source: Nanoscale Advances

DOI: 10.1039/d6na00844e

Authors: Sahar Bagheri Bijarbone, Mohammad Bayat, Davood Gheidari

Institutions: Imam Khomeini International University, University of Guilan

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Drug Discovery

Field: Pharmacology, Toxicology and Pharmaceutics

Domain: Life Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,962