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All Journal Jurnal Periodic Jurusan Kimia UNP Journal of Natural Sciences and Mathematics Research Jurnal Zarah Eksakta : Berkala Ilmiah Bidang MIPA Pelita Eksakta SPIN: Jurnal Kimia & Pendidikan Kimia Hydrogen: Jurnal Kependidikan Kimia Jurnal Pijar MIPA MASALIQ: Jurnal Pendidikan dan Sains
Sari, Trisna Kumala
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Religion Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Education Energy Engineering Environmental Science Materials Science & Nanotechnology Mathematics Mechanical Engineering Physics Social Sciences Other

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In Silico Study of Bioactive Compounds from Koro Benguk (Mucuna pruriens (L.) DC.) as Potential Modulators of CYP7A1 for Hypercholesterolemia Therapy Paradhise, Cleofany Aurhelya; Sari, Trisna Kumala
Jurnal Pijar MIPA Vol. 21 No. 2 (2026)
Publisher : Department of Mathematics and Science Education, Faculty of Teacher Training and Education, University of Mataram. Jurnal Pijar MIPA colaborates with Perkumpulan Pendidik IPA Indonesia Wilayah Nusa Tenggara Barat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jpm.v21i2.11676

Abstract

Hypercholesterolemia is a major risk factor for cardiovascular diseases and remains a significant global health concern. Cholesterol 7α-hydroxylase (CYP7A1), the rate-limiting enzyme in the classical bile acid synthesis pathway, plays a crucial role in hepatic cholesterol catabolism and represents a promising therapeutic target for cholesterol regulation. Natural product-derived compounds have attracted increasing attention as potential antihypercholesterolemic agents due to their structural diversity and biological activities. However, studies evaluating phytochemicals from Mucuna pruriens as CYP7A1 modulators remain limited, particularly those integrating molecular docking with pharmacokinetic prediction. Therefore, this study aimed to evaluate the potential of bioactive compounds from Mucuna pruriens as modulators of CYP7A1 using an in silico approach. Twenty-eight phytochemical compounds identified through GC-MS profiling were screened using Lipinski’s Rule of Five. Selected compounds were further analyzed by molecular docking against the CYP7A1 protein (PDB ID: 3DAX), followed by ADMET prediction. Docking protocol validation through redocking of the native ligand showed good conformational agreement at the active site (RMSD < 2 Å), confirming the reliability of the docking parameters. Binding affinity and RMSD were used to evaluate ligand–protein interaction stability. Sterculic acid exhibited the strongest binding affinity with a docking score of −6.6.1 kcal/mol and RMSD of 1.51 Å, slightly stronger than the reference ligand 7-ketocholesterol (−7.335 kcal/mol). Interaction analysis revealed hydrogen bonding with key residues, including Asn126 and Lys98, as well as hydrophobic interactions within the active pocket. Other fatty acid derivatives, including octadecanoic acid and heptadecanoic acid, also showed competitive binding energies. ADMET prediction indicated high intestinal absorption (HIA > 90%), no CYP3A4 inhibition, and low predicted toxicity. These results highlight sterculic acid as a promising CYP7A1 modulator and support the potential of Mucuna pruriens phytochemicals for further molecular dynamics studies and experimental validation in the development of hypercholesterolemia therapy.
Biosorption of Indigo Carmine onto Duck Egg White-Modified Longan Peel Biosorbent: Effect of Particle Size and Contact Time Waarsyat, Fadli; Kurniawati, Desy; Etika, Sri Benti; Sari, Trisna Kumala; Husein, Saddam; Jeningsih; Septian Budiman
EKSAKTA: Berkala Ilmiah Bidang MIPA Vol. 27 No. 02 (2026): Eksakta : Berkala Ilmiah Bidang MIPA (E-ISSN : 2549-7464)
Publisher : Faculty of Mathematics and Natural Sciences (FMIPA), Universitas Negeri Padang, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24036/eksakta/vol27-iss02/665

Abstract

The increasing demand in the textile industry ideally requires effective wastewater treatment systems to prevent environmental pollution. These pollutants are resistant to degradation and pose serious risks to aquatic ecosystems and human health. To address this issue, sustainable and low-cost treatment methods are urgently needed. Biosorption using agricultural waste has emerged as a promising alternative; however its performance is often limited by insufficient active binding sites. Therefore, surface modification using natural protein sources is proposed to enhance adsorption capacity and efficiency. This study aims to develop and evaluate longan peel modified with duck egg white (LP-DEW) as an eco-friendly biosorbent for indigo carmine removal. The effects of particle size and contact time were investigated, and adsorption kinetics were analyzed using pseudo-first-order, pseudo-second-order, and intraparticle diffusion models. The results showed that LP-DEW exhibited a maximum adsorption capacity of 128.27 mg g-1 at an optimal particle size of 63 μm and equilibrium time of 90 min. The adsorption process followed the pseudo-second-order model, indicating chemisorption as the dominant mechanism. In conclusion, LP-DEW demonstrates high adsorption efficiency and favorable kinetics, highlighting its potential as a sustainable biosorbent for dye-contaminated wastewater treatment.
Biosorpsi Ion Logam Cu(II) Menggunakan Ekstrak Pektindari Kulit Buah Kedondong (Spondias Dulcis) Fithriana, Elinda; Sari, Trisna Kumala
Jurnal Zarah Vol. 12 No. 2 (2024): October, 2024
Publisher : Fakultas Keguruan dan Ilmu Pendidikan, Universitas Maritim Raja Ali Haji

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31629/tcsm6f49

Abstract

Tembaga (Cu) adalah elemen penting yang dibutuhkan tubuh manusia untuk mempertahankan beberapa proses biologis. Namun, jumlah Cu(II) yang berlebihan dalam tubuh dapat berdampak buruk bagi kesehatan manusia. Maka perlu adanya solusi untuk mengatasi permasalahan tersebut. Pada penelitian ini digunakan ekstrak pektin dari kulit kedondong sebagai bioisorben untuk ion logam Cu(II). Penelitian ini dilakukan untuk mengetahui waktu kontak optimum pada proses biosorpsi. Kemudian dilakukan pengujian kandungan metoksil dan karakterisasi pektin menggunakan FTIR, kandungan logam yang terserap ditentukan menggunakan instrumen AAS. Dari penelitian ini diketahui ekstrak pektin yang berasal dari kulit kedondong bermetoksil rendah (1,9%) serta diperoleh waktu kontak optimum untuk biosorpsi ion logam Cu(II) menggunakan biosorben ekstrak pektin dari kulit buah kedondong yaitu terjadi pada waktu kontak 90 menit.
Co-Authors Ahadul Putra Aini, Syamsi Akhmad, Ashta Varan Alizar, Alizar Annisa, Ananda Suci Baehaqi Budhi Oktavia Della Rosalynna Stiadi Desy Kurniawati Edi Nasra Fajriah Azra Fithriana, Elinda Indang Dewata Istiqamah, Siti Sarah Jannah, Mizatul Jayawarsa, A.A. Ketut Jeningsih Kauri, Desrike Luthfiyah, Lulu Maharani, Indah Kemala Malinda, Tasya Miftahul Khair Mulia, Melindra Nizar, Umar Kalmar Nofri Yuhelman Paradhise, Cleofany Aurhelya Pernadi, Niza Lian Putra, Ahadul Putra, Ananda Putra, Rizky Zalmi Putri Rinjani, Mitna Sekar PUTRI WULANDARI Putri, Nella Aulia Putri, Yunisa Anugrah Rahmad, Nafisah Yulia Rahmi Wahyuni, Rahmi Rahmi, Maulidia Arsyta Riga, Riga Romy Dwipa Yamesa Away Rosmiyani, Tia Saddam Husein, Saddam Septian Budiman Sherly Kasuma Warda Ningsih Sri Benti Etika Suryani, Okta Ulianas, Alizar Velly, Aglin Waarsyat, Fadli Wahyu Hidayati Yeni, Isra yuda pratama Zubir, Moondra