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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

Abstract

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

Abstract

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

Abstract

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