ad-Dawaa : Journal of Pharmaceutical Sciences
Vol 5 No 2 (2022)

English English

Fitril Imani (Student)
Yusnita Rifai (Departement of Pharmacy, Faculty of Pharmacy, Hasanuddin University, Makassar)
Herlina Rante (Departement of Pharmacy, Faculty of Pharmacy, Hasanuddin University, Makassar)
Ansari Masri (Departement of Pharmacy, Faculty of Medicine and Health Scinence, Muhammadiyah University of Makassar)
Andri Anugrah Pratama (UIN Alauddin Makassar)
Musabbiha (Departement of Pharmacy, Faculty of Medicine and Health Science, Alauddin Islamic State University of Makassar)



Article Info

Publish Date
31 May 2023

Abstract

This study aims to predict the compounds from Ocimum basillicum that have potential as glioma inhibitors by inhibiting the enzyme isocitrate dehydrogenase (IDH). Forty-two compounds from Ocimum basillicum were carried out by molecular docking to the IDH receptor using the AutodockTools 1.5.7 program and continued prediction of pharmacokinetic profile and toxicity using ADMETab 2.0 and Toxtree. The validation of the molecular docking method showed an RMSD value of 1.8509 A. As a result of the research, we discovered several compounds had the best interactions in our investigation. Those compounds were Apigenin, Catechin, Chloronergic Acid, Ellagic Acid, Quercetin, Rutin, Eriodictyol, and Chicoric Acid, with binding affinity values of -7.1, -6.7, -7.1, -7.1, -7.1, -8.5, -7.2, and -6.5, respectively. Several compounds are predicted to have the potential to be developed as glioma inhibitors. Furthermore, the ADMET's predictions show that these potential compounds still require improvement in pharmacokinetics and toxicity. However, further laboratory investigations like in vitro and in vivo assays need to be conducted.

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Journal Info

Abbrev

addawaa

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology

Description

ad-Dawaa Journal of Pharmaceutical Sciences (DJPS) merupakan jurnal yang terbit dua kali dalam setahun, yaitu setiap Juni dan Desember. Jurnal ini fokus pada seluruh bidang terkait ilmu farmasi, termasuk biologi farmasi, farmakokimia, farmakologi, farmasi klinik dan teknologi farmasi. Jurnal ini ...