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Docking Molekuler Potensi Antiinflamasi Kandungan Senyawa Benger (Lagerstroemia ovalifolia Teijsm. & Binn) Terhadap 5KIR-Cyclooxygenase-2 (COX-2): Molecular Docking of Anti-Inflammatory Potential of Benger (Lagerstroemia Ovalifolia Teijsm. & Binn) Compounds Against 5KIR - Cyclooxygenase-2 (COX-2) Veranita, Weri; Wibowo, Agung Eru; Listyani, Tiara Ajeng
Jurnal Sains dan Kesehatan Vol. 6 No. 5 (2024): J. Sains Kes.
Publisher : Fakultas Farmasi, Universitas Mulawarman, Samarinda, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25026/jsk.v6i5.2326

Abstract

Content Benger plant extract compounds (Lagerstroemia ovalifolia Teijsm. & Binn.) are reported as a new class of COX-2 enzyme inhibitors. Molecular docking analysis of Benger plant extract compounds (Lagerstroemia ovalifolia Teijsm. & Binn.) against COX-2 enzyme is required to determine the affinity and interaction pattern between the above compounds and COX-2 enzyme. A total of 23 Benger metabolite compounds were evaluated against COX-2 protein structure (PDB: 5KIR) using Molegro Virtual Docker (MVD) software. The docking results showed that three compounds, namely Kaempferol-3-O-acetyl-glucoside isomer, Acacetin malonylgalactoside, and Kaempferol-3-Oa-L-rhamnoside, had a lower rerank score (more negative) compared to the ligand (RCX_601), indicating potential as COX-2 inhibitors that affect inflammation regulation in silico. In addition, in silico ADMET analysis using pkCSM showed that the three compounds were classified as non-toxic according to BPOM Regulation no. 10 of 2022. Keywords:          Lagerstroemia ovalifolia , Cyclooxygenase-2, Molegro Virtual Docker, 5KIR   Abstrak Senyawa ekstrak tanaman Benger (Lagerstroemia ovalifolia Teijsm. & Binn.)  dilaporkan sebagai kelas baru inhibitor enzim COX-2. Analisis docking molekuler senyawa Senyawa ekstrak tanaman Benger (Lagerstroemia ovalifolia Teijsm. & Binn.)  terhadap enzim     COX-2 diperlukan untuk mengetahui afinitas dan pola interaksi antara senyawa di atas dengan enzim COX-2. Sebanyak 23 senyawa metabolit Benger dievaluasi terhadap struktur protein COX-2 (PDB: 5KIR) menggunakan perangkat lunak Molegro Virtual Docker (MVD). Hasil docking menunjukkan bahwa tiga senyawa, yaitu Kaempferol-3-O-acetyl-glucoside isomer, Acacetin malonylgalactoside, dan Kaempferol-3-Oa-L-rhamnoside, memiliki rerank score yang lebih rendah (lebih negatif) dibandingkan dengan ligan (RCX_601), menunjukkan potensi sebagai inhibitor COX-2 yang mempengaruhi regulasi peradangan secara in silico. Selain itu, analisis ADMET secara in silico menggunakan pkCSM menunjukkan bahwa Kaempferol-3-O-a-L-arabinoside (Juglalin) lebih mudah diabsorpsi oleh usus dibandingkan dengan kedua senyawa lainnya namun ketiga senyawa tersebut diklasifikasikan tidak bersifat toksik. Kata Kunci:         Lagerstroemia ovalifolia , Cyclooxygenase-2, Molegro Virtual Docker, 5KIR
THE EFFECT OF HUMAN RESOURCE COMPETENCY TRAINING AND ADMINISTRATIVE SYSTEM FOR PHARMACEUTICAL PERSONNEL CAPABILITY IMPROVEMENT AT UDB MEDIKA PHARMACY Listyani, Tiara Ajeng; Listyorini, Puguh Ika; Akhmad, Khabib Alia; Oktaviana, Aptika
Proceeding of the International Conference Health, Science And Technology (ICOHETECH) 2023: Proceeding of the 4th International Conference Health, Science And Technology (ICOHETECH)
Publisher : LPPM Universitas Duta Bangsa Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47701/icohetech.v4i1.3427

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UDB Medika Pharmacy is a new form of business that was established to increase the income generating of Duta Bangsa University, Surakarta. The lack of experience of Pharmacy Staff at the UDB Medika Pharmacy as practitioners in the pharmacy sector creating human resources in UDB Medika pharmacies requires real training in carrying out pharmaceutical service standards in pharmacies. This study aims to assess the level of knowledge and ability of pharmacy staff, and to find out whether there is a significant influence before and after the Human Resources Competency and Administration System training for pharmacists at UDB Medika Pharmacy. This study was a pre-experimental study with a one-group design that was given a pre-test and a post-test. The results of this study indicate that the average score after training is 78.51, which is higher than the score before training, which is 52.58. Competency Training on Human Resources and Administrative Systems for pharmacists at UDB Medika Pharmacy has been proven to be able to increase the knowledge and skills of pharmaceutical staff at UDB Medika pharmacies in providing pharmaceutical services in accordance with pharmacy service standards at pharmacies, assessed from test results before and after training.
UJI AKTIVITAS STIMULANSIA INFUSA DAUN COKELAT (Theobroma cacao L) PADA MENCIT PUTIH (Mus musculus) DENGAN METODE ROTAROD Fadila, Vera Nurhidayatul; Ardiyantoro, Bagas; Listyani, Tiara Ajeng
JIFI (Jurnal Ilmiah Farmasi Imelda) Vol. 9 No. 1 (2025): JIFI (Jurnal Ilmiah Farmasi Imelda)
Publisher : Universitas Imelda Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52943/jifarmasi.v9i1.1971

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Fatigue due to excessive activity can be overcome with stimulants, but the use of synthetic stimulants carries the risk of side effects. This study aims to determine the stimulant activity of cocoa leaf infusion (Theobroma cacao L) and to determine the best dose that can increase central nervous system stimulation in white mice (Mus musculus). Synthetic stimulants often cause side effects, so natural alternatives are needed. This study tested the stimulant effect of cocoa leaf infusion (Theobroma cacao L.) on white mice (Mus musculus) using a rotarod test. Mice were divided into five groups: negative control (distilled water), positive control (caffeine 100 mg/kgBW), and infusion with doses of 50, 100, and 150 mg/kgBW. The results showed that all infusion doses significantly increased the survival time of mice compared to the negative control (p < 0.05). The dose of 150 mg/kgBW gave the effect closest to caffeine. Phytochemical tests showed the presence of alkaloids and flavonoids that are suspected to play a role in stimulant activity. Cocoa leaf infusion has the potential as a natural stimulant.
FORMULASI DAN UJI EVALUASI SEDIAAN LIP BALM KOMBINASI EKSTRAK ETANOL DAGING LIDAH BUAYA (Aloe vera) DAN DAGING BUAH ALPUKAT (Persea americana Mill) SEBAGAI PELEMBAB BIBIR Masruroh, Sururul Kamalin; Wardani, Tatiana Siska; Listyani, Tiara Ajeng
JIFI (Jurnal Ilmiah Farmasi Imelda) Vol. 9 No. 1 (2025): JIFI (Jurnal Ilmiah Farmasi Imelda)
Publisher : Universitas Imelda Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52943/jifarmasi.v9i1.1980

Abstract

The lips are sensitive and prone to dryness and chapping, requiring special care. This study aimed to develop a Lip Balm preparation that meets physical quality standards and to determine its activity as a lip moisturizer. It also determined the optimal concentration for a Lip Balm formulation using a combination of 70% ethanol extract of Aloe vera and avocado (Persea americana Mill.) pulp. Aloe vera contains lignin, and avocado contains vitamins A, C, and E, which are essential for skin health. This study was conducted experimentally using five formula variations: F0 (0%), F1 (10%), F2 (15%), F3 (20%), and a positive control (Vaseline Repairing Jelly). Physical quality evaluation included organoleptic testing, homogeneity, pH, spreadability, adhesion, spreadability, moisture testing, irritation testing, hedonic testing, and stability testing. The results showed that all formulas had a semi-solid texture and color, varying depending on the extract concentration, were homogeneous, had a pH within the safe range (4.5-6.5), and met physical quality requirements. Moisture testing showed an increase in lip moisture levels after 14 days of use, with formula F3 providing the best moisturizing effect. In conclusion, the combination of Aloe vera and avocado (Persea americana Mill) extracts can be formulated into an effective Lip Balm as a natural lip moisturizer, with the best concentration in formula F3, with a moisture value of 47.3%.
Kajian Hubungan Kuantitatif Struktur Aktivitas (QSAR) Potensi Inhibitor Enzim -Amilase dan -Glukosidase dari Minyak Kayu Putih (Eucalyptus camaldulensis Dehnh) Listyani, Tiara Ajeng; Siwi Artini, Kusumaningtyas
Sehat Rakyat: Jurnal Kesehatan Masyarakat Vol. 4 No. 4 (2025): November 2025
Publisher : Yayasan Pendidikan Penelitian Pengabdian Algero

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54259/sehatrakyat.v4i4.5967

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Diabetes Mellitus is a major endocrine disease and a global health problem characterized by increased blood glucose levels. Active compounds found in the essential oil of Eucalyptus camaldulensis Dehnh. have been reported to potentially act as in vitro inhibitors of the α-amylase and α-glucosidase enzymes, making them attractive candidates for antidiabetic agents. This study aimed to identify and predict the potential of derivative compounds through a computational approach using the Quantitative Structure-Activity Relationship method. The research methodology included structural modeling, geometry optimization, calculation of molecular descriptors, statistical analysis using multilinear regression with a backward approach in SPSS software, model validation, and new compound design. The best validated QSAR model equation was obtained with satisfactory statistical criteria (n=29; r=0.89; r²=0.79; SE=0.25; F-calculated/F-table=15.20). The selected descriptors with the most significant influence included LUMO energy, dipole moment, and estimated surface area, yielding the final equation: Log K = - 709,312 + 122,620·qC1 + 42,819·qC4 + 51,232·qC5 + 35,743·qC6  – 722,345·qO1 - 211,214·qO2. Based on this model, 3-(4-(ethylamino)butyl)-5-hydroxy-1H-pyrazole-4-carbonitrile, was designed and demonstrated significant potential as an inhibitor. This compound exhibited a predicted Log IC50 value of 2.75 (equivalent to an IC50 of 0.02 µM), which is substantially more potent than the IC50 value of the reference compound (30.58 µM). These results indicate that the novel compound has great potential as a candidate for an oral α-amylase and α-glucosidase inhibitor preparation for the management of DM. Further in vitro and in vivo validation studies are necessary to confirm these computationally predicted biological activities
ANALISIS DOCKING MOLEKULER BESERTA PREDIKSI ADME DERIVAT FLAVONOID SENYAWA KOMPOSISI KIMIA EKSTRAK BUNGA ROSELA (Hisbiscus Sabdariffa L.) SEBAGAI ANTIOBESITAS Listyani, Tiara Ajeng; Azizah, Dinar
Duta Pharma Journal Vol. 5 No. 2 (2025): Duta Pharma Journal
Publisher : Universitas Duta Bangsa Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47701/pbz5mq71

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Latar Belakang: Pemanfaatan bunga rosela dapat mengobati salah satunya yaitu obesitas. Tujuan: Penelitian ini bertujuan untuk mengetahui senyawa berkhasiat antiobesitas yang terkandung dalam bunga rosela melalui ekstraknya dengan melihat nilai binding affinity dan interaksi asam amino dari komposisi ekstrak bunga rosela. Metode: Senyawa uji digambar lalu diubah ke 3D menggunakan software ChemOffice dan target uji yang telah dipreparasi menggunakan aplikasi Biovia Discovery Studio selanjutnya dipreparasi menggunakan aplikasi VegaZZ. Target yang telah dipreparasi ditambatkan dengan ligan native menggunakan software Pyrx-Phyton 0.8 Autodock Vina untuk melakukan validasi metode docking selanjutnya dilakukan analisis docking terhadap semua ligan uji dan dilihat interaksi asam amino melalui aplikasi Biovia Discovery Studio. Seluruh ligan uji dilakukan prediksi ADME menggunakan progam SwissADME . Hasil: docking 11 struktur senyawa ekstrak bunga rosela (Hibiscus sabdariffa L.) derivat flavonoid ditemukan dua senyawa yang berpotensi sebagai antiobesitas berdasarkan nilai binding affinity dan asam amino yang berkontribusi terhadap interkasi dengan ikatan hydrogen asam amino dimana interaksi tersebut mirip senyawa NAG yang merupakan ligan asli protein target yaitu Kaempferol-3-rutinosid dan Quercetin-3-rutinosid. Kesimpulan: Prediksi ADME semua struktur senyawa memenuhi persyaratan Lipinski’s rule of five sehingga dapat diprediksi memiliki peluang untuk menjadi obat oral.
Formulation and Antioxidant Test of Soursop Leaf Lotion Preparation (Annona squamosa L.) Using the ABTS Method Lisa Amalia; Tiara Ajeng Listyani; Danang Raharjo
International Journal of Health Engineering and Technology Vol. 4 No. 5 (2026): IJHESS JANUARY 2026
Publisher : CV. AFDIFAL MAJU BERKAH

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55227/ijhet.v4i5.556

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Soursop leaves (Annona squamosa L.) are known to contain secondary metabolite compounds such as flavonoids, alkaloids, tannins, and polyphenols that have the potential as natural antioxidants. Antioxidants play an important role in warding off free radicals that can cause skin damage, premature aging, and degenerative diseases. This study aims to formulate a lotion preparation with soursop leaf extract and evaluate its antioxidant activity using the ABTS (2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid)) method. The extract was obtained through a maceration method using 96% ethanol. The lotion formula was prepared with various concentrations of soursop leaf extract, then tested for physical quality properties, as well as antioxidant activity by measuring the IC50 value of the ABTS radical solution. The results showed that soursop leaf extract has very strong antioxidant activity, indicated by a strong IC50 value. The resulting lotion preparation has good physical characteristics and antioxidant activity comparable to the comparator quercetin. Thus, soursop leaf extract lotion has the potential to be developed as a natural skin care product with moisturizing and antioxidant functions
FORMULASI DAN EVALUASI GEL EKSTRAK DAUN TAHI BELALANG PADA LUKA BAKAR KELINCI Lende, Yulianus Erman; Hidayat, Rahmat; Listyani, Tiara Ajeng
Jurnal Buana Farma Vol 5 No 4 (2025): Jurnal Buana Farma
Publisher : Fakultas Farmasi Universitas Buana Perjuangan Karawang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36805/jbf.v5i4.1519

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Burn wounds are a common health issue that requires effective management. This study explores the potential of tahi belalang leaf extract (Chromolaena odorata L.) as a healing agent for burn wounds, with bioactive compounds such as flavonoids, saponins, tannins, and alkaloids that possess anti-inflammatory, antioxidant, and anti-allergic properties. The main objective is to formulate and evaluate the gel preparation of tahi belalang leaf extract as an alternative topical treatment. The research method involves plant determination, preparation, standardization of simplicia, extraction, and phytochemical screening to identify active compounds. Subsequently, gel formulations were created with varying concentrations of extract (5%, 10%, 15%) and the physical quality of the preparations was evaluated (organoleptic, homogeneity, pH, viscosity, spreadability, adhesion, irritation, and hedonic). The effectiveness of burn wound healing was tested in vivo on male rabbits, comparing the gel formula with a negative control (gel base) and a positive control (Bioplacenton®), with daily wound diameter measurements and statistical analysis using SPSS. The results showed that the gel containing 15% tahi belalang leaf extract (F3) was the most effective formulation in accelerating the healing of second-degree burn wounds in male rabbits. The presence of flavonoids, alkaloids, tannins, and saponins contributed anti-inflammatory, antioxidant, and antibacterial effects that supported tissue regeneration. Based on the ANOVA significance value of 0.028, there was a statistically significant difference among the treatment groups of the formulations.
PENDEKATAN COMPUTER-AIDED DRUG DESIGN TERHADAP TURUNAN CARYOPHYLLENE KEMANGI (OCIMUM X AFRICANUM) SEBAGAI INHIBITOR BCL-2 Krisnantari, Ni Luh Novelia; Listyani, Tiara Ajeng; Fitriawati, Anna
Jurnal Kesehatan Tambusai Vol. 7 No. 1 (2026): MARET 2026
Publisher : Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/jkt.v7i1.55133

Abstract

Kanker lambung menyebabkan sekitar 700.000 kematian setiap tahun di seluruh dunia dan menempati urutan kedua dalam hal frekuensi. Terapi konvensional menggunakan venetoclax memiliki efek yang spesifik sebagai inhibitor B-Cell Lymphoma (BCL-2), namun sering dilaporkan efek samping neurotropenia, trombositopenia, hingga risiko tumor lysis syndrome (TLS). Minyak atsiri tanaman kemangi (Ocimum x africanum) diketahui memiliki kandungan metabolit sekunder sebagai inhibitor BCL-2. Penelitian ini bertujuan untuk mengevaluasi potensi senyawa turunan caryophyllene minyak atsiri kemangi sebagai kandidat inhibitor BCL-2 pada kanker lambung secara in silico. Penelitian ini menggunakan metode komputasi molecular docking dengan PyRx-AutoDock Vina, visualisasi ikatan residu asam amino dengan BIOVIA Discovery Studio Visualizer, prediksi parameter absorpsi, distribusi, metabolisme, ekskresi (ADME) dengan SwissADME berdasarkan Lipinski’s Rules, dan prediksi toksisitas berdasarkan Cramer Rules dengan ToxTree. Desain senyawa obat baru dari caryophyllene menunjukkan hasil nilai binding affinity -6.4 kkal/mol, Root Mean Square Deviation (RMSD) 1.76 Å, ikatan asam amino yang serupa dengan ligan natif, prediksi ADME sesuai parameter Lipinski’s Rules dan toksisitas sesuai parameter Cramer Rules. Dari penelitian ini yaitu bahwa senyawa baru turunan caryophyllene dapat digunakan dalam pengembangan sebagai kandidat obat oral baru sebagai inhibitor BCL-2, tetapi diperlukan uji lebih lanjut.
Determination Of Lead And Cadmium Metal Content In Rambai Leaf Simplicia (Baccaurea Motleyana Müll.Arg.) Using Atomic Absorption Spectrophotometry Method Aqila Widya Sari; Rahmat Hidayat; 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.v4i6.602

Abstract

Rambai leaf (Baccaurea motleyana Müll. Arg.) is traditionally used to treat smallpox, diarrhea, and bruises, but it has the potential to be contaminated with heavy metals such as lead (Pb) and cadmium (Cd) which are toxic and accumulative. This study aims to determine the levels of Pb and Cd in rambai leaf and compare them with the safe limits of BPOM RI and WHO. The type of research is descriptive quantitative with Atomic Absorption Spectrophotometry (AAS) method using an air-acetylene flame system. The study population was all rambai plants in Nanga Kantuk Village, West Kalimantan, with purposive sampling. The main instrument was SSA contrAA 800, while data analysis was carried out through a linear calibration curve (R> 0.998), regression, and calculation of levels (mg/kg). The results showed Pb levels of 4.29 mg/kg and Cd <LOD (0.0131 mg/L). These results indicate that Pb metal was detected, while Cd was not detected quantitatively. In conclusion, the levels of Pb and Cd in rambai leaf simplicia are still below the safe limits of BPOM RI (Pb ≤ 10 mg/kg; Cd ≤ 0.3 mg/kg), so it is safe to use as a traditional medicine ingredient from the aspect of heavy metal contamination.
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 Deniessa, Ardelea 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 Siregar, sherina Sarifitri 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