Jambura Journal of Chemistry
Vol 8, No 1 (2026): February

Evaluasi Komprehensif in silico Profil ADME Aqneursa dan Miplyffa: Strategi Seleksi Senyawa Baru yang Disetujui FDA untuk Terapi Niemann-Pick Tipe C

Dienna, Annisha Noor (Unknown)
Utri, Chynthia Azhari (Unknown)
Hikmah, Sitti Ainun (Unknown)
Nurbaiti, Novalia (Unknown)



Article Info

Publish Date
22 Feb 2026

Abstract

Niemann-Pick disease type C (NPC) is a rare neurodegenerative disorder requiring new therapeutic options, where ADME (Absorption, Distribution, Metabolism, Excretion) profiles are critical for drug development. This study aimed to conduct a comparative in silico prediction of the ADME profiles of two novel FDA-approved compounds, Aqneursa and Miplyffa, as candidate therapies for NPC. The result in silico profiling was developed from the web-based tool, SwissADME, such as physicochemical characteristics, lipophilicity, solubility, pharmacokinetics, and drug-likeness. Aqneursa follows all the key drug-likeness rules (Lipinski, Ghose, Veber, Egan, Muegge), has a low molecular weight (173.21 g/mol), a well-soluble, a high gastrointestinal absorption, and  a balanced lipophilicity (Log P 0.66). In contrast, Miplyffa presented significant pharmacokinetic challenges, including a high molecular weight (505.90 g/mol), extreme hydrophilicity (Log P -0.21), high polarity (TPSA 202.65 Ų), low GI absorption, and multiple violations of drug-likeness criteria. Although both compounds were predicted to be non-substrates of P-glycoprotein and non-inhibitors of major CYP450 enzymes, neither was predicted to cross the blood-brain barrier (BBB). In conclusion, Aqneursa is good for oral drugs and worthy of further development for NPC, whereas Miplyffa requires alternative formulation strategies or structural modifications.

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Journal Info

Abbrev

jjc

Publisher

Subject

Chemistry

Description

Jambura Journal of Chemistry is peer-reviewed and open access journal published by Chemistry Depertment, Faculty Mathematic and Natural Science. Jam.J.Chem that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied ...