SwissADME and pkCSM Webservers Predictors: an integrated Online Platform for Accurate and Comprehensive Predictions for In Silico ADME/T Properties of Artemisinin and its Derivatives

Khaldun AL Azzam

doi:10.31643/2023/6445.13

Authors

Khaldun AL Azzam Al-Ahliyya Amman University

DOI:

https://doi.org/10.31643/2023/6445.13

Keywords:

SwissADME, artemisinin derivatives, ChemDraw, in silico prediction, pkCSM

Abstract

In vivo ADME testing is costly, time-consuming, and puts animal lives at risk, whereas in silico ADME testing is safer, simpler, and faster. This study will use in silico methodologies from SwissADME and pkCSM as an integrated online platform for accurate and comprehensive predictions to determine In Silico ADME/T Properties of Artemisinin and its Derivatives. The investigated compounds' structures were translated into canonical SMILES format and then submitted to the SwissADME and pkCSM webserver tools, which provide free access to different properties of compounds. A compound's ADME/T characteristics are critical for future study and the results obtained will be of beneficial use for researchers. Additionally, the results of this study give great guidance and show that chemical alterations to the reference molecule artemisinin can enhance its ADMET capabilities. The webservers used in this work are free, and several comparison trials show that pkCSM and SwissADME performed are better than a number of other frequently used methods. The designing or engineering of a novel drug molecule primarily requires knowledge of the features of ADME/T of the new drug compound.

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Author Biography

Khaldun AL Azzam, Al-Ahliyya Amman University

PhD, Assistant professor at Department of Pharmaceutical Sciences, Pharmacological and Diagnostic Research Center (PDRC), Faculty of Pharmacy, Al-Ahliyya Amman University, Amman 19328, Jordan.

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