In Silico of AMHRII Receptor Binding and Toxicity Prediction of Clitoria ternatea

Erna Yovi Kurniawati; Endang Mahati; Zaw Myo Hein

doi:10.33096/woh.v7i4.1166

Erna Yovi Kurniawati Midwifery Profession Program, Faculty of Health Science, Alma Ata University, Indonesia
Endang Mahati Department of Pharmacology and Therapy, Medical Faculty, Diponegoro University, Indonesia
Zaw Myo Hein Department of Basic Medical Sciences, College of Medicine, Ajman University, United Arab Emirates

DOI: https://doi.org/10.33096/woh.v7i4.1166

Keywords: Clitoria Ternatea, In Silico, Farmakokinetik, Toksisitas

Abstract

Clitoria ternatea compounds show significant potential as herbal drug candidates for polycystic ovary syndrome (PCOS) through improving anti-Müllerian hormone (AMH) parameters. This study aims to evaluate the potential of these compounds in binding to AMHRII receptors using an in silico approach. Several compounds, baicalein, isorhamnetin, and malvidin, showed high binding affinity towards AMHRII receptors, approaching or even surpassing some control drugs. These compounds have favorable toxicity profiles, with high LD50s, suggesting low toxicity and high safety potential for therapeutic use. Some compounds, such as isorhamnetin, termination, petunidin, malvidin, cyanidin, luteolin, and protocatechuic acid, have an unfavorable number of hydrogen donors, as does gallic acid, which has an unfavorable number of hydrogen acceptors. The development of technologies that improve bioavailability and pharmacokinetics can overcome these challenges. Further studies in vivo are needed to confirm the effectiveness and safety of these compounds in potential clinical therapies and develop innovative herbal therapies for Clitoria ternatea-based PCOS.

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