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All Journal Biology, Medicine, & Natural Product Chemistry Indonesian Journal of Chemistry
Artania Adnin Tri Suma
Universitas Gadjah Mada
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Medicine & Pharmacology Public Health

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Synthesis, Cytotoxicity Evaluation and Molecular Docking Study of N-Phenylpyrazoline Derivatives Artania Adnin Tri Suma; Tutik Dwi Wahyuningsih; Mustofa Mustofa
Indonesian Journal of Chemistry Vol 19, No 4 (2019)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (215.658 KB) | DOI: 10.22146/ijc.45777

Abstract

The synthesis of N-phenylpyrazolines 1-5 was performed by the cyclocondensation of phenylhydrazine and appropriate chalcones that have been synthesized from our previous work. All of the compounds were elucidated for their structure using GC-MS, FTIR, 1H, and 13C-NMR spectrometers. Their anticancer activity was evaluated against breast cancer cell line (T47D) and colorectal cancer cell line (WiDr). Compound 4 (4-(3-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-methoxyphenol) was found to be the most potent compound with IC50 value of 13.11 µg/mL in T47D cell line and 3.29 µg/mL in WiDr cell line. Docking study was conducted to evaluate the interaction between all compounds and EGFR receptor on cancer cells. Among the tested compounds, compound 4 is the only compound that has interaction with MET769 residue through hydrogen bonding due to the presence of hydroxyl group on its structure. Our findings suggest that the synthesized N-phenylpyrazolines in this study have a promising anticancer activity.
Commercial Incense: Compound Analysis and Its Molecular Docking Studies as Anxiolytic Agents Apsari, Cintya Nurul; Ujiantari, Navista Sri Octa; Rohmah, Zuliyati; Utami, Setyowati Triastuti; Suma, Artania Adnin Tri; Gusnaniar, Niar
Biology, Medicine, & Natural Product Chemistry Vol 13, No 1 (2024)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2024.131.239-250

Abstract

In the context of Indonesian culture, incense has been traditionally utilized in various rituals. Incense possesses a calming impact and has the potential to reduce anxiety. This physiological response stems from the interplay of chemical components within incense and receptors associated with relaxation, specifically GABAA. This research aims to explore the interaction between substances found in commercially incenses with the GABAA receptors. The compounds of incense were identified through Gas Chromatography-Mass Spectrometry (GCMS) analysis. And there were 54 compounds identified from the 5 incense samples. Next, the ligands employed for docking studies were compounds predicted to traverse the blood-brain barrier (BBB). There were 31 compounds potential of crossing the blood-brain barrier (BBB). Docking results indicated that the majority of tested compounds exhibited notably lower S-scores during receptor interaction, suggesting their potential as anxiety-relieving agents. Furthermore, molecular docking outcomes highlighted that 9-Octadecenoic acid (Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester showed the lowest S-score (-6.573). These findings imply that odorant and other volatile organic compounds (VOCs) present in incenses possess the ability to function as anxiety-reducing (anxiolytic) agents, potentially assisting in anxiety treatment.
Volatilomics Profiling of Counterfeit Perfume by Gas Chromatography Hyphenated to Mass Spectrometry and Fourier-Transformed Infrared Spectroscopy Hidayah, Siti Nurul; Suma, Artania Adnin Tri; Lukitaningsih, Endang
Indonesian Journal of Chemistry Vol 24, No 6 (2024)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.96313

Abstract

To prevent deleterious effects on consumers and potential health damage caused by counterfeit perfumes, this study aims to distinguish the original perfume from its suspected counterfeit products. Fingerprint and volatilomics profiling was performed using attenuated total reflection-Fourier infrared spectroscopy (ATR-FTIR) and gas chromatography hyphenated to mass spectrometry (GC-MS). Headspace (HS)-GC-MS was optimized to analyze perfume samples containing water. In the presence of water, our optimized HS-GC-MS method shows linalool's consistent signal intensity, providing an alternative analytical method for water-based perfume formulation. The GC-MS chemical characterization revealed 45 compounds detected in the original sample but only four compounds were detected in the counterfeit products: linalool, citronellol, methyl jasmonate, acetic acid, and propanol. This suggests a clear difference in the formulation of counterfeit products. Counterfeit products also cheat by using a lower amount of ingredients. Relative quantification shows that linalool in counterfeit products was as low as only 5.1% of the amount in the original product. In addition, cheaper and hazardous materials like methanol and 6,7-dihydrogeraniol were detected in counterfeit products. The combination of ATR-FTIR, GC-MS, and HS-GC-MS demonstrated fast authentication of counterfeit perfumes for routine quality control purposes and the possibility of water-based perfume analysis.
Toxicity and α-Amylase Inhibitory Potential of Tagetes erecta Leaf Extract: In Vitro and In Silico Approaches Rasyid, Herlina; Soekamto, Nunuk Hariani; Musa, Bulkis; Siswanto, Siswanto; Labanni, Arniati; Suma, Artania Adnin Tri; Syahrir, Nur Hilal A; Bahrun, Bahrun; Badrawati, Kadek Susi; Yusuf, Mohammad Taufik
Indonesian Journal of Chemistry Vol 25, No 5 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.104489

Abstract

Tagetes erecta is one of traditional herbs with a variety of pharmacological actions. This study attempted to assess the toxicity and antidiabetic activity of T. erecta leaf extract. The extraction was carried out by maceration, then continued with phytochemical analysis. Toxicity of the extract was conducted using the brine shrimp lethality test. The antidiabetic activity was evaluated by α-amylase inhibitory using the 3,5-dinitrosalicylic acid method. The phytochemical of the most active extract was identified using GC-MS and subjected to bind the α-amylase (PDB ID: 2QV4) employing molecular docking. The LC50 values of n-hexane, EtOAc, and MeOH extracts were 33.41, 14.00, and 35.03 ppm, respectively, indicating high toxicity. The antidiabetic activity showed that EtOAc extract has the lowest IC50 value (1053.95 mg/L). Molecular docking analysis revealed the compounds 1–5 has range of binding energy at −4.07 to −4.83 kcal/mol. Acarbose as a positive control showed the lower binding energy at −5.03 kcal/mol, indicated more effective α-amylase inhibitory. This study revealed that T. erecta leaf extract has significant cytotoxic potential, which may warrant further exploration for anticancer applications. However, the relatively weak α-amylase inhibitory and lower binding affinity compared to acarbose imply limited utility as an antidiabetic agent.
Co-Authors Apsari, Cintya Nurul Badrawati, Kadek Susi Bahrun Bahrun Daniel Happy Putra Endang Lukitaningsih Gusnaniar, Niar Labanni, Arniati Musa, Bulkis Mustofa Mustofa Nunuk Hariani Soekamto Rasyid, Herlina Rohmah, Zuliyati S Siswanto Syahrir, Nur Hilal A. Tutik Dwi Wahyuningsih Ujiantari, Navista Sri Octa Utami, Setyowati Triastuti Yusuf, Mohammad Taufik