Critical Evaluation of ADMET Characteristics for the Promising COVID-19 Compound 13b

EasyChair Preprint no. 11643

Abstract

The emergence of COVID-19 has spurred the quest for effective therapeutics. This study critically evaluates the Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) characteristics of compound 13b, an α‑Ketoamide (peptide-type analogue) recently identified for its promising activity against SARS-CoV-2. Synthesized and screened by Rolf et al., compound 13b displayed notable chemical and biological attributes. Our ADMET analysis, however, reveals potential challenges. The compound exhibits issues related to blood-brain permeation, low gastrointestinal absorption, and violations of key drug development rules such as Veber’s and Lipinski’s. This critical assessment emphasizes the need for substantial modifications to optimize the ADMET profile of 13b before advancing to clinical trials.

Keyphrases: ADMET, Lead, profile

@Booklet{EasyChair:11643,
  author = {Kurez Oroy and Chen Li},
  title = {Critical Evaluation of ADMET Characteristics for the Promising COVID-19 Compound 13b},
  howpublished = {EasyChair Preprint no. 11643},

  year = {EasyChair, 2023}}