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All Journal Pharmasipha Jurnal Delima Harapan Jurnal Farmasi Indonesia PUBLIKASI PENELITIAN TERAPAN DAN KEBIJAKAN Jurnal Peduli Masyarakat Indonesian Journal of Global Health research Infokes : Jurnal Ilmiah Rekam Medis dan Informasi Kesehatan Medfarm: Jurnal Farmasi dan Kesehatan JOURNAL SCIENTIFIC OF MANDALIKA (JSM) Jurnal Kesehatan Tambusai Jurnal Ilmiah Wahana Pendidikan Jurnal Buana Farma Proceedings of the International Conference on Nursing and Health Sciences JIFI (Jurnal Ilmiah Farmasi Imelda) Sehat Rakyat: Jurnal Kesehatan Masyarakat JURNAL JAMU KUSUMA Duta Pharma Journal Proceeding of International Conference Health, Science And Technology (ICOHETECH) Prosiding Seminar Informasi Kesehatan Nasional International Journal of Health, Engineering and Technology Jurnal Ilmiah Kesehatan Jurnal Medika Nusantara Parapemikir Jurnal Ilmiah Farmasi Jurnal Pengabdian Masyarakat dan Riset Pendidikan Jurnal Sains dan Kesehatan Bhamada: Jurnal Ilmu dan Teknologi Kesehatan (E-Journal) Science and Community Pharmacy Journal Jurnal Ilmiah Farmasi Indonesia (JIFIN)
Listyani, Tiara Ajeng
Universitas Duta Bangsa Surakarta
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Mathematics Mechanical Engineering Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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Test In Silico Compounds Of Lime Leaves (Citrus Amblycarpa (Hassk.) Ochse) As Inhibitors Of Angiotensin Converting Enzyme (ACE) Causes Hypertension Fitrohrezky Akbar Maulana; Tiara Ajeng Listyani; Anna Fitriawati
International Journal of Health Engineering and Technology Vol. 4 No. 6 (2026): IJHET MARCH 2026
Publisher : CV. AFDIFAL MAJU BERKAH

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55227/ijhet.v4i6.646

Abstract

Hypertension is a global health problem with high prevalence and is a major risk factor for cardiovascular disease. One of the main mechanisms of hypertension is increased Angiotensin Converting Enzyme (ACE) activity. The use of synthetic ACE inhibitors often causes side effects, such as nausea, hyperkalaemia, headaches, swelling of the lower skin, coughing, taste disturbances, and angioneurotic edema. Therefore, natural-based alternatives are needed. Lime leaves (Citrus amblycarpa) are known to contain various bioactive compounds that have the potential to act as ACE inhibitors. This study aims to analyze the interaction of active compounds in lime leaves with ACE through molecular docking, as well as to predict their ADME profile and toxicity. The study was conducted in silico using PyRx–AutoDock Vina for molecular docking, PyMOL and BIOVIA Discovery Studio for interaction visualization, SwissADME for ADME prediction, and ToxTree for toxicity analysis. Method validation was performed based on an RMSD value < 2Å. The results of the study indicate that 1,3-benzenedicarboxamide is the best compound with an RMSD value of 1.998 Å and a bond free energy (ΔG) of −6.4 kcal/mol, forming specific amino acid residue bonds similar to the native captopril ligand. ADME predictions meet Lipinski's Rule of Five criteria and fall into the low toxicity category (Class I) based on Cramer's rules. The compound 1,3-benzenedicarboxamide has the potential to be developed as a candidate ACE inhibitor for hypertension therapy.
Antibacterial Activity Test Of Ethanol Extract And N-Hexane Fraction, Ethyl Acetate, Moringa Leaf Water (Moringa Oleifera L) Against Streptococcus Mutans ATCC 25175 Bacteria Wahdah Sri Rahayu; Tatiana Siska Wardani; Tiara Ajeng Listyani
International Journal of Health Engineering and Technology Vol. 4 No. 6 (2026): IJHET MARCH 2026
Publisher : CV. AFDIFAL MAJU BERKAH

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55227/ijhet.v4i6.662

Abstract

Dental caries remains a major oral health problem globally and in Indonesia, triggered by Streptococcus mutans biofilm. Chemical agents such as chlorhexidine have side effects, encouraging the use of natural alternatives from Moringa oleifera L. leaves. This study aims to evaluate the antibacterial activity of ethanol extracts and n-hexane, ethyl acetate, and water fractions against Streptococcus mutans ATCC 25175, identify the most active fraction, and determine the MIC and MBC. This quantitative study used diffusion and dilution methods. Bacteria: Streptococcus mutans ATCC 25175; samples: ethanol extract of Moringa oleifera L. leaves and n-Hexane, ethyl acetate, and water fractions. Data analysis used SPSS 25 One-Way ANOVA, Tukey (p<0.05). Results showed that the ethyl acetate fraction was the most active with 12.36 mm inhibition at 45%; MIC and MBC were 30% ANOVA significant (p=0.000). The ethyl acetate fraction has strong caries prevention potential, supporting herbal development.
In-Silico Study Of The Potential Of Neem Leaf Active Compounds (Azadirachta Indica) As A-Amylase Enzyme Inhibitors Through Molecular Docking And ADMET Analysis Mutiara Marzalina Wardhani; Tiara Ajeng Listyani; Tatiana Siska Wardani
International Journal of Health Engineering and Technology Vol. 4 No. 6 (2026): IJHET MARCH 2026
Publisher : CV. AFDIFAL MAJU BERKAH

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55227/ijhet.v4i6.687

Abstract

Indonesia has reached 20.4 million adults with the fifth highest number of diabetes in the world and is estimated to be 28.6 million by 2050. The use of acarbose has side effects such as digestive problems to potential for the liver and kidneys, so these problems can be overcome with herbal plant treatment, one of which is the active compound of neem leaves (Azadirachta indica). This study aims to analyze the interaction of 20 neem leaf compounds with α-amylase enzymes through the molecular docking approach, ADMET prediction, and modification of potential new compounds as antidiabetic candidates. This research was conducted in silico using PyRx-AutoDock Vina for docking, VegaZZ, PyMOL, and Discovery Studio for optimization and visualization, SwissADME for ADME prediction, and Toxtree for toxicity test. The docking method validation is expressed in RMSD values of <2 Å. The docking results showed that Kaempferol had a ΔGBinding of -7.9 kcal/mol, an RMSD value of 1.229 Å and had a similarity of amino acid residues to the native ligands ASP:197. Kaempferol has a good ADME profile, High (III) category toxicity and is mutagenic and carcinogen. The design of the new compound of Kaempferol i.e. 2-(4-hydroxycyclohexyl)-1-methoxybutane-1,4-diol has amino acid residue similarity to the native ligands ASP A:197, ΔGBinding -5.6, RMSD value 1,704 Å and has good ADME, Low (I) category toxicity. The active compound of neem leaves has the potential to be an inhibitor of the enzyme α-Amylase.
Co-Authors Achsantya, Raden Roro Karyna Cindy Addawiyyah, Muniroh Agung Eru Wibowo Aini, Riszki Nur Aisyah Rabitha Alisi Akhmad, Khabib Alia Anna Fitriawati Aprilia Rika Alvita Apriliawan, Hidayah Aqila Widya Sari Ariyanti Ariyanti Artini, Kusumaningtyas Siwi Azizah, Dinar Bagas Ardiyantoro Chyang, Pang Jyh Danang Raharjo Desy Ayu Irma Permatasari Dwi Bagus Pambudi Ekarani, Meisyah Litang Endang Suciati Fadila, Vera Nurhidayatul Fazlin Fauzi Fitrohrezky Akbar Maulana Galuh Puspitasari Guterres, Agostinha Hafalika, Aviv Ifalahma, Darah Kharisma, Putri Nur Khilda Hilyatul 'Ulya Krisnantari, Ni Luh Novelia Kusumaningtyas Siwi Artini Kusumasedya, Willyana Pratiwi Lende, Yulianus Erman Lisa Amalia Luthfiyanti, Niken Masruroh, Sururul Kamalin Mutiara Marzalina Wardhani Nabillah Sirli Okta Maharani Niken Luthfiyanti ningsih, endang wahyu Nugraha, Novanda Satria Nur Azmi, Tasya Nabila Oktaviana, Aptika Pratama, Kharisma Jayak Puguh Ika Listyorini Puspitasari, Rara Ayu Rafidah Hanifah Rahmasari, Ikrima Rahmat Hidayat Ramadhani, Diza Aulia Ratna Safitri Rohmana, Vivin Marwiyati Sari, Cantyka Eka Viemala Sejati, Siti Laila Utari Septian Maulid Wicahyo Septiarini, Anita Dwi Silvia Devi Silvia Mawardani Siwi Artini, Kusumaningtyas Suwardi, Nisa Aura Rizky Tanoyo, William Tatiana Siska Wardani Tatiana, Siska Wardani Urip, Sri Khanti Veranita, Weri Wahdah Sri Rahayu Wahyu Budi Utomo Wardani, Tatiana Siska Wargani, Rizki Nugraha Yoga Pratama Yuliana, Ana Yuliana, Silvia Zanjabila, Chanida Zavitra, Mei Nanda