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Cytotoxic Potensial and Molecular Docking of Essential Oil Piper Aduncum Flowers Against Cervical Cancer Cells Rahmadani, Indah; Efdi, Mai; Suryati, Suryati
Hydrogen: Jurnal Kependidikan Kimia Vol. 12 No. 4 (2024): August 2024
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/hjkk.v12i4.12479

Abstract

Piper aduncum L., commonly known as spiked pepper, is a medicinal plant traditionally used to treat various diseases due to its diverse, active compounds. This article investigates the chemical composition, cytotoxic bioactivity in vitro and the silico of the essential oil (EO) from the flowers of Piper aduncum collected in Padang City, Indonesia. The EO was obtained by hydrodistillation using a Clevenger-type apparatus and characterized by gas chromatography-mass spectrometry (GC-MS). The in vitro cytotoxicity of the EO was assessed against cervical cancer (HeLa cancer cell line) using the MTT assay and further explored through molecular docking approaches. The main constituent of the essential oil from the flowers was dillapiol (31.68%). The LC50 and IC50 values were 31.3471 µg/mL and 65.83 µg/mL, respectively. Computational screening was performed to observe the interactions between active compounds and proteins AKT and ERK2 using molecular docking. AKT and ERK2 act as critical regulators in the PI3K/Akt and ERK/MEK signaling pathways and are potential drug targets for cancer therapy. The compounds used complied with ADMET analysis and toxicity profile. However, it is noteworthy that there have been no previous reports on the essential oil from Piper aduncum flowers from Padang City specifically targeting cervical cancer, which molecular docking studies have complemented. The results suggest that the essential oil from the flowers of Piper aduncum can be further studied as a potential lead in drug discovery for cervical cancer.
Phytochemical Screening and In Vitro Antidiabetic Test of Ethyl Acetate Fraction of Tiger’s Betel (Piper porphyrophyllum) Hanifah, Nurul; Santoni, Adlis; Efdi, Mai
Hydrogen: Jurnal Kependidikan Kimia Vol. 12 No. 5 (2024): October 2024
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/hjkk.v12i5.13118

Abstract

Piper porphyrophyllum or known as tiger’s betel, is a medicinal plant of the Piper genus that is quite widespread in Indonesia, especially on Java, Sumatra, and Kalimantan island. Tiger’s betel is widely used traditionally to treat headaches, bone pain, chest tightness, skin diseases, relieve inflammation, and diabetes mellitus. This study aims to determine the type of secondary metabolite compounds contained in the ethyl acetate fraction of tiger’s betel and determine its antidiabetic activity. Determination of the type of compound is conducted by phytochemical screening by a qualitative test using various reagents to identify flavonoids, phenolics, saponins, triterpenoids, steroids, alkaloids, and coumarins. The antidiabetic assay was carried out by inhibiting α-glucosidase activity and the results were reported as IC50 values. The ethyl acetate fraction of tiger’s betel positively contains alkaloids, flavonoids, and phenolics. The antidiabetic activity is classified as very strong, with an IC50 value of 14.06 µg/mL.
Antioxidant of Ethanol Extract and Toxicity of Fractions from Aspergillus unguis a Marine Sponge Symbiont of Aaptos suberitoides Masyerli, Scify Bilqis Nawafi; Efdi, Mai; Bashari, Muhammad Hasan; Untung Kurnia Agung, Mochamad; Subhan, Beginer; Efahmi, Efahmi; Andriani, Yosie; Syafrizayanti, Syafrizayanti
Hydrogen: Jurnal Kependidikan Kimia Vol. 13 No. 1 (2025): February 2025
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/hjkk.v13i1.14645

Abstract

The marine sponge Aaptos suberitoides has been shown to have anticancer properties, with clear evidence of its capacity to suppress the growth of cancer cells. However, the pharmaceutical exploration of chemicals from marine organisms causes significant environmental concerns. Aspergillus unguis, a fungal symbiont of the marine sponge A. suberitoides, has been isolated for its potential in sustainable natural products resources. This study assesses the antioxidant activity of ethanol extract and the toxicity of four levels fractions from ethanol extracts of A. unguis mycelium and these results were reported for the first time in this study. The antioxidant of ethanol extract was determined using the 2,2-Diphenyl-1-picrylhydrazyl (DPPH) method. The fractions were examined for toxicity using the Brine Shrimp Lethality Test (BSLT). The ethanol extract of A. unguis shows very strong antioxidant bioactivity (IC50 = 42.84 mg/L). The LC50 values for hexane, chloroform, ethyl acetate, and butanol fractions were determined to be 74.11 µg/mL, 93.84 µg/mL, 59.37 µg/mL, and 142.79 µg/mL, respectively. It indicates significant toxicity. These preliminary results are important knowledge for further research into the bioactivity potential of the metabolites as candidate anticancer compounds, aligning with marine pharmaceutical drug development.
Isolasi Senyawa Metabolit Sekunder Dari Fraksi Aktif Antibakteri Pada Tumbuhan Sirih Merah (Piper porphyrophyllum) Efdi, Mai; M. Iqbal Alfarisyi; Arifin, Bustanul
Jurnal Kimia Unand Vol. 12 No. 2 (2023): November 2023
Publisher : Departemen Kimia Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jku.12.2.1-7.2023

Abstract

The red betel plant (Piper porphyrophyllum) belongs to the Piperaceae family which is traditionally used to treat various diseases, including headaches, bone pain, chest tightness, leprosy, stomach ache, as well as for various other diseases such as skin diseases and diabetes. In this study, the antibacterial activity was tested for the hexane, ethyl acetate and methanol extracts of red betel nut using the disc diffusion method and the isolation of secondary metabolites from the hexane fraction of red betel nut using column chromatography technique. Determination of the antibacterial activity of the three fractions showed that the methanol extract had better antibacterial activity compared to the hexane extract and ethyl acetate extract. UV spectrum analysis showed 3 bands with absorption of 282 nm in band I, 274.80 nm in band II and 224.80 nm in band III which means that they show characteristics for triterpenoid group compounds. FTIR analysis showed the presence of C-H, CH2, C=O, C-O alcohol and geminal dimethyl functional groups in the isolated compounds.
Isolation of Secondary Metabolites from the Antioxidant Active Fraction of Syzygium aqueum Leaves and Its Docking Simulation on EGFR Farid Algani; Afrizal Itam; Mai Efdi; Kuntum Suci Mawarni
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.739-748

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This study aims to isolate secondary metabolites from Syzygium aqueum leaves and assess their suitability for targeting Epidermal Growth Factor Receptor (EGFR) proteins in lung cancer treatment. The methods utilized include maceration, fractionation, chromatography, and molecular docking. The isolated compounds were characterized using UV-VIS spectroscopy, FTIR, and NMR techniques. The compounds were 2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone (DMC) and lupeol. Molecular docking simulations were performed between DMC compounds and EGFR proteins (PDB ID: 1M17, 5D41, 5UG8, 5UG9, and 6LUD). Mutations in the EGFR kinase domain, particularly T790M, L858R, and V948R, confer resistance to first-generation inhibitors, including osimertinib. According to the in-silico docking results, DMC shows promise as an alternative inhibitor candidate. It can maintain interactions with the key residue Lys745 and provides stabilization through Asp855 ansamod Glu762. In contrast, osimertinib relies more on hydrophobic interactions and loses direct contact with Lys745, contributing to decreased affinity. This suggests that DMC may effectively overcome resistance associated with mutations, especially T790M, while maintaining crucial interactions within the ATP binding pocket. Therefore, DMC can be developed into a new non-covalent scaffold for treating lung cancer with EGFR mutations.
Evaluation of Antioxidant Activity and In Silico Prediction of Bioactive Compounds from the n-Hexane Extract of Gracilaria compressa (C. Agardh) Greville Syafrizayanti Syafrizayanti; Andre Priandoko; Mai Efdi
Indonesian Journal of Chemical Studies Vol. 5 No. 1 (2026): Indones. J. Chem. Stud. June 2026
Publisher : Indonesian Scholar Society

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55749/ijcs.v5i1.128

Abstract

This study evaluated the antioxidant potential and in silico pharmacological properties of the n-hexane extract of Gracilaria compressa (C. Agardh) Greville. Antioxidant assays using DPPH and ABTS radicals demonstrated moderate to strong scavenging activities, with IC₅₀ values of 74.51 mg/L and 58.81 mg/L, respectively. LC–MS/MS profiling identified several major lipophilic compounds, including uvaretin, mangostanol, and palmitic acid. Molecular docking simulations against Cyclooxygenase-2 (COX-2) revealed that uvaretin exhibited the strongest binding affinity (–9.0 kcal/mol), supported by hydrogen bonding and hydrophobic interactions with key active-site residues. Pharmacokinetic evaluation based on Lipinski’s Rule of Five indicated favorable drug-likeness and bioavailability properties for the identified compounds. These findings suggest that G. compressa n-hexane extract contains bioactive constituents with promising antioxidant and anti-inflammatory potential for further pharmacological development of marine-derived compounds as candidate therapeutics agents, particularly in the design of natural COX-2 inhibitors, and supports their potential application in pharmaceutical and nutraceutical formulations.
Isolation and evaluation of the antimicrobial activity of endophytic fungi from Orthosiphon aristatus HERLAND SATRIAWAN; NIKY AFRILIA ZAIMI; ARIED ERIADI; MAI EFDI; TRINA EKAWATI TALLEI; REGINA ANDAYANI; DIAN HANDAYANI
Biodiversitas Journal of Biological Diversity Vol. 26 No. 2 (2025)
Publisher : Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.13057/biodiv/d260245

Abstract

Abstract. Satriawan H, Zaimi NA, Eriadi A, Efdi M, Tallei TE, Andayani R, Handayani D. 2025. Isolation and evaluation of the antimicrobial activity of endophytic fungi from Orthosiphon aristatus. Biodiversitas 26: 963-970. Orthosiphon aristatus, known as cat's whiskers or Javanese tea in Indonesia, has been used in traditional medicine to enhance urination, treat kidney inflammation, mitigate kidney stones, regulate diabetes, address albuminuria and syphilis, alleviate rheumatism, reduce blood glucose levels, and function as an antibacterial agent. The purpose of this study was to investigate the endophytic fungal resources of Orthosiphon aristatus and evaluate its potential as a source of bioactive compounds, particularly against antibiotic-resistant pathogens like Methicillin-resistant Staphylococcus aureus (MRSA). Eleven fungal isolates were obtained from the plant’s leaves, stems, and roots. The ethyl acetate extract of isolates was subjected to comprehensive antimicrobial screening at a concentration of 5%. Three isolates-OAA1, OAA3, and OAD1-exhibited considerable antibacterial activity, with OAD1 displaying the most significant efficacy, as evidenced by a 12.57 ± 1.09 mm inhibition zone against MRSA. Nevertheless, none of the extracts could suppress the proliferation of Candida albicans. Subsequent molecular identification verified that OAD1 was Aspergillus niger. The phytochemical analysis revealed that the triterpenoid and flavonoid groups exhibited a positive reaction, whereas the alkaloid and phenol compound groups exhibited a negative response. The findings highlight the potential of endophytic fungi from O. aristatus as promising sources of novel bioactive compounds, especially for addressing antibiotic-resistant pathogens like MRSA. The identification of A. niger as a powerful antibacterial-producing organism presents promising prospects for the creation of novel pharmaceuticals, particularly regarding multidrug-resistant infections. This study emphasizes the pressing necessity for additional research to identify and characterize the specific compounds that confer antibacterial activity and to investigate their extensive therapeutic applications.
Phytochemical composition and antibacterial potential of Melastoma malabathricum against Staphylococcus aureus with in silico insights into MRSA target proteins FEBRIA ELVY SUSANTI; MAI EFDI; SYAFRIZAYANTI SYAFRIZAYANTI; ABDI WIRA SEPTAMA; NURYANI TURABBY
Biodiversitas Journal of Biological Diversity Vol. 26 No. 12 (2025)
Publisher : Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.13057/biodiv/d261204

Abstract

Abstract. Susanti FE, Efdi M, Syafrizayanti, Septama AW, Turabby N. 2025. Phytochemical composition and antibacterial potential of Melastoma malabathricum against Staphylococcus aureus with in silico insights into MRSA target proteins. Biodiversitas 26: 6000-6013. The global rise in antimicrobial resistance highlights the need to explore new antibacterial agents derived from natural sources. Melastoma malabathricum, a medicinal plant rich in phenolic compounds, was investigated for its antioxidant and antibacterial properties, with additional in silico analysis of potential interactions with MRSA-related target proteins. Methanol extracts from different plant parts (leaves, stems, fruits, roots, and flowers) were evaluated for their Total Phenolic Content (TPC), antioxidant activity, and antibacterial effects against methicillin-sensitive Staphylococcus aureus (MSSA, ATCC 29213) and Escherichia coli (ATCC 25922). The flower extract showed the widest inhibition zone of 14.17 mm against S. aureus ATCC 29213 (MSSA), and the highest IC50 value (89.22 mg/L) was obtained from the root extract, indicating the lowest antioxidant activity. The TPC of the extracts reached 140.84 mg GAE/g. Molecular docking revealed that afzelin, quercetin, and trifolin may bind to MRSA-associated proteins, including PBP2a, DdlB, and FabH, suggesting possible mechanisms underlying the observed antibacterial effects. These findings imply that phenolic compounds in M. malabathricum could act through multiple molecular targets, contributing to its biological activities. However, since the antibacterial assays were conducted using a methicillin-sensitive strain, further validation using MRSA isolates is required to confirm the predicted inhibitory potential. Overall, this study provides a preliminary understanding of the phenolic composition and antibacterial potential of M. malabathricum, supporting its continued investigation as a natural source of bioactive compounds.
Antibacterial Activity of Triterpenoid from The Leaves of Tahi Ayam (Lantana camara Linn) Kartika MZ; Suryati Suryati; Mai Efdi
IJFAC (Indonesian Journal of Fundamental and Applied Chemistry) Vol 8, No 3 (2023): October 2023
Publisher : IJFAC (Indonesian Journal of Fundamental and Applied Chemistry)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24845/ijfac.v8.i3.110

Abstract

Tahi Ayam (Lantana camara Linn) is known as the herbal plant to cure several diseases and has been used in folk medicine. The result of this study indicates that the isolated compound and the ethyl acetate fraction are components having antibacterial activity. The isolated compound from the ethyl acetate fraction from the leaves of the Lantana camara Linn plant is 9-hydroxy-Lantadene A. The compound includes the triterpenoid compound group, the molecular formula is C35H52O6, and another name is 22-angeloiloxy-9-hydroxy-3-oxo-olean-12-en-28-oat. The antibacterial activity of this compound was determined by looking at the inhibition zone of the test bacteria, namely Staphylococcus aureus as gram-positive and Escherichia coli as gram-negative. The treatment has been using the disc diffusion method and using amoxicillin as a control positive. The result of the antibacterial activity test revealed that both 9-hydroxy-Lantadene A and the ethyl acetate fraction exhibited antibacterial activity. Becouse there are inhibition zones around the discs at concentrations of 10 μg/disk and 5 μg/disk.
Isolasi Dan Karakterisasi Terpenoid Serta Uji Antioksidan Dari Ekstrak Kulit Batang Shorea singkawang Efdi, Mai; Syafrizayanti, Syafrizayanti; Sari, Dian Kumala
Chempublish Journal Vol. 1 No. 2 (2016): Chempublish Journal
Publisher : Department of Chemistry, Faculty of Science and Technology Universitas Jambi

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (475.162 KB)

Abstract

Isolasi dan karakterisasi terpenoid dari fraksi etil asetat ekstrak kulit batang Shorea singkawang telah dilakukan. Senyawa ini diisolasi dengan metode maserasi, kromatografi kolom, dan rekristalisasi serta dikarakterisasi dengan metode spektroskopi. Terpenoid tersebut berupa padatan putih dengan titik leleh 140-142°C dan berdasarkan data GC menunjukkan adanya 1 puncak. Berdasarkan data spektroskopi UV dan IR, senyawa hasil isolasi dalam pelarut metanol menunjukkan serapan maksimum pada panjang gelombang 201 nm dan memiliki gugus –OH, -CH2, -CH3, dan geminal dimetil namun belum diketahui posisi dari gugus-gugus tersebut. Hasil uji antioksidan dengan metode DPPH menunjukkan ekstrak etil asetat memiliki potensi sebagai antioksidan dengan EC50 sebesar 0,075%. Kata kunci : Shorea singkawang, terpenoid, uji antioksidan  
Co-Authors -, Sabariah A.A. Ketut Agung Cahyawan W ABDI WIRA SEPTAMA Abdi Wira Septama Adlis Santoni Afritunando, Yogi Afrizal Afrizal Afrizal Afrizal Afrizal Afrizal Afrizal Afrizal Itam Aju Deska Akmel Suhada Alvionita, Jessica Andre Priandoko Ardi, Lucy Prima Aried Eriadi Arifah, Zil Aziz, Enda Desriansyah Bashari, Muhammad Hasan Beginer Subhan Bumali, Restu Bustanul Arifin Bustanul Arifin Bustanul Arifin Dara Pratama Defitriani, Anggun Deswati Deswati Devi Purnamasari Dian Handayani Dian Kumala Sari, Dian Kumala Dira Hefni Djaswir Darwis Djaswir Darwis Efahmi, Efahmi Elida Mardiah Emil Salim Emriadi - Enda Desriansyah Aziz Erizal Zaini Fadhil Ferdian Farid Algani Fatma Sri Wahyuni FEBRIA ELVY SUSANTI Febriana, Nindi Antika Hamzar Suyani HERLAND SATRIAWAN Hermansyah Aziz Ibnu Irawan Ida Ayu Putu Sri Widnyani Imelda Imelda Jessica Alvionita Kartika MZ Kartika MZ Kartika Kevin Septioga Koketsu, Mamoru Kunitomo Watanabe Kuntum Suci Mawarni Lestari Ningsih M. Iqbal Alfarisyi M. Iqbal Alfarisyi Mamoru Koketsu Marniati Salim Masyerli, Scify Bilqis Nawafi Matlal Fajri Alif Mochamad Untung Kurnia Agung Mudinillah, Adam Mulia, Melindra NIKY AFRILIA ZAIMI Nindi Antika Febriana Niza Lian Pernadi Novesar Jamarun Nurainas Nurainas Nurul Fadhillah Nurul Hanifah NURYANI TURABBY Olly Norita Tetra Putri Arwanda Rahmadani, Indah Refilda Refilda Refinel - REGINA ANDAYANI Ria Januarti Ridho Sahary Adha Sabariah - Safni Safni Salim, Emil Sari Ramadhani Solly Aryza Suhada, Akmel Suhada, Akmel Suryati Suryati Suryati Suryati Suryati Susanti, Febria Elvy SYAFRIZAYANTI SYAFRIZAYANTI Syafrizayanti, Syafrizayanti Syukri - Syukri Arief Syukri Arief Syukri Syukri Tia Okselni TRINA EKAWATI TALLEI Upita Septiani Watanabe, Kunitomo Wulandari, Annisa Yefrida - Yeni Stiadi Yetria Rilda Yogi Afritunando Yosie Andriani Yulia Eka Putri, Yulia Eka Yulizar Yusuf Yuni Malasari Zilfa Zilfa Zulhadjri Zulhadjri