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In Silico Evaluation: Bioactive Compounds in Soursop Plant (Annona muricata L.) as Caspase-3 Inhibitor for Prostate Cancer Aristokrat, Aria; Widati Aqila Rumawan, Maritsa; Amalia Hanifa, Zahra; Luthfiyah Rahmani, Syifa; Hanifah; Parameswari, Natashya; Puteri Agustina Pribadi, Alya; Lia Aulifa, Diah
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 11 No. 1 (2024): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v11i12024.1-11

Abstract

Background: Prostate cancer has become one of the leading causes of death in men. Cancer patients often seek alternative treatments apart from chemotherapy, radiation therapy, and surgery. The use of medicinal plants in both preventive and curative actions in healthcare has been widely recognized. One of the plants known to have anticancer activity is the soursop leaf (Annona muricata L.). Objective: This study was conducted to explore the potential of active compounds contained in A. muricata as drug candidates for the inhibition of caspase-3 in silico. Methods: The research began with the prediction of Lipinski's Rule of Five and ADMET properties for the compounds found in A. muricata. The prediction process was followed by pharmacophore modelling and molecular docking simulations on caspase-3 (PDB: 1NME) as the target protein and 2-hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid as the natural ligand using AutoDockTools 1.5.6. Results: Based on the molecular docking results, 22 test ligands were able to form bonds with the caspase-3 enzyme. The two best interactions were observed with the test ligands, Isolaureline and S-norcorydine, with binding energy values of -6.20 kcal /mol and -6.12 kcal /mol and inhibition constant values of 28.65 µM and 32.53 µM. In terms of receptor-target interactions, these two compounds also exhibited hydrogen bonding and van der Waals interactions similar to the natural ligand. Conclusion: The best bioactive compounds in A. muricata (Isolaureline and S-norcorydine) were predicted to have the ability to interact with caspase-3 and the potential to be used as prostate cancer drug candidates.
Kajian Risiko Validasi Pembersihan Mesin yang Dilakukan Secara Manual Dengan Metode Failure Mode and Effects Analysis Aristokrat, Aria; Chaerunisaa, Anis Yohana
Majalah Farmasetika Vol 10, No 6 (2025)
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/mfarmasetika.v10i6.67440

Abstract

 Kontaminasi silang pada sarana produksi adalah hal yang sangat dihindari sehingga perlu dilakukannya pembersihan yang sudah divalidasi karena residu yang tersisa dapat menjadi cemaran. Namun, terdapat risiko yang dapat terjadi selama dilakukannya validasi pembersihan. Oleh karena itu penting untuk mengkaji risiko tersebut. Penelitian ini akan mengkaji resiko yang dapat terjadi pada setiap tahapan validasi pembersihan dengan metode Failure Mode and Effects Analysis (FMEA). Penelitian dilakukan dengan cara observasional dan wawancara langsung di salah satu industri farmasi di Kota Bandung. Tahapan kajian risiko dimulai dengan mengidentifikasi risiko, menganalisis risiko berdasarkan tingkat keparahan, memberikan skor sehingga didapatkan nilai RPN, serta mengevaluasi risiko. Dari hasil kajian risiko, didapatkan sebanyak 26 risiko dengan 16 risiko minor, 4 risiko moderat dan 6 risiko mayor. Risiko yang termasuk dalam kategori mayor dibuat tindakan pengendalian risiko untuk mengurangi risiko terjadinya kegagalan dalam validasi pembersihan. Industri farmasi dapat melakukan tindakan pencegahan dan pengendalian dari hasil kajian risiko ini seperti pengecekan terhadap sarana penunjang kritis yang ada, penentuan marker, pelaksanaan proses validasi, serta mempertimbangkan untuk pembersihan secara otomatis.