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Pharmacy Reports
Published by Indonesian Young Scientist Group
ISSN : -     EISSN : 27989798     DOI : https://doi.org/10.51511/pr.2
Core Subject : Health, Science,
Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Medicine & Pharmacology
Pharmacy Reports is an open-access journal publishing peer-reviewed research in the pharmacy field, covering topics in pharmaceutics, biomedicine, pharmaceutical chemistry, bioinformatics, natural product, pharmacology and toxicology, and clinical pharmacy. Pharmacy Reports invites you to submit papers, covering topics in: pharmaceutics (pharmaceutical technology, drug delivery system), biomedicine (molecular biology, biochemistry, immunology, microbiology, biotechnology), pharmaceutical chemistry (analytical chemistry, medicinal chemistry: drug design, drug synthesis, pharmacochemistry, bioinformatic), natural product (fractionation, isolation, purification, and elucidation), pharmacology and toxicology (pharmacokinetics, toxicology), clinical pharmacy (therapeutic drug monitoring, adverse drug reaction, drug interaction), pharmaceutical industry, pharmacy education, community service related to pharmacy.
Arjuna Subject : Pharmacology, Toxicology and Pharmaceutics - Pharmacology, Toxicology and Pharmaceutics (Lain-Lain)
Articles 70 Documents
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In silico molecular docking of luteolin as a potential antihyperpigmentation agent Putri, Lucienne Agatha Larasati Nugraha; Anjani, Ni Luh Ari Krisma; Laksmiani, Ni Putu Linda; Susanti, Ni Made Pitri
Pharmacy Reports Vol. 3 No. 1 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.61

Abstract

Excessive melanin synthesis, often triggered by overexposure to UV rays, is catalyzed by melanogenesis enzymes such as tyrosinase, tyrosinase-related protein 1, and D-dopachrome tautomerase. Derived from natural sources, the flavonoid compound luteolin is explored for its antihyperpigmentation potential. This study assesses luteolin’s efficacy as an antihyperpigmentation agent by analyzing its affinity and bond interactions with melanogenesis enzymes through an in silico approach. Molecular docking, facilitated by HyperChem 8 for test compound optimization and Chimera 1.11.1 for protein preparation, alongside method validation and docking with AutoDockTools 1.5.6, established the protocol’s validity with an RMSD value of ≤3 Å. Docking results reveal luteolin's higher affinity for the target proteins compared to native ligands, with binding energies of -5.63 kcal/mol for tyrosinase, -6.18 kcal/mol for tyrosinase-related protein 1, and -6.54 kcal/mol for D-dopachrome tautomerase. The interaction between luteolin and these proteins involves hydrogen, hydrophobic, electrostatic, and Van der Waals bonds, with amino acid residues His61, Lys129, Arg132 (tyrosinase); His192, His224, Val89 (tyrosinase-related protein 1); and Ile64, Asn73 (D-dopachrome tautomerase) participating in hydrogen bond formation. These findings suggest luteolin’s significant potential as an antihyperpigmentation agent by inhibiting melanogenesis enzymes.
Exploring the anticancer potential of scopoletin against HER-2 positive breast cancer: an in silico molecular docking study Adhyaksa, I Nyoman Mahesa Praba; Silawarti, Putu Ayu Karunia; Putra, Made Ferdio Amarta; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 3 No. 2 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.63

Abstract

Cancer, defined by the unchecked growth and invasive potential of abnormal cells, remains a global health challenge. Within this context, scopoletin, a compound isolated from the leaves of Impatiens balsamina L., has garnered attention for its potential as an anti-breast cancer agent. This study employed in silico molecular docking techniques to explore scopoletin's interaction with the HER-2 protein, a known target in breast cancer therapy. The docking analysis revealed that scopoletin exhibits affinity towards the HER-2 protein, with a binding energy of -6.3 kcal/mol. Notably, the binding energy of scopoletin is comparable to that of gefitinib, an established cancer drug, further underscoring its potential therapeutic value.
Factors influencing adherence to antituberculosis treatment: A cross-sectional study at Sendang Agung Health Center, Central Lampung Nabila, Sofia Zahra; Windari, Nurul Irna; Sarmoko
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.65

Abstract

This study investigates factors influencing adherence to antituberculosis treatment among pulmonary tuberculosis patients at Sendang Agung Health Center. Using a cross-sectional approach and purposive sampling, data were collected from 53 patients treated between January and March 2023. The study employed validated questionnaires and statistical analyses, including Chi-Square and logistic regression tests. The results showed that 33 patients (62.3%) were compliant with using antituberculosis drugs, while 20 patients (37.7%) were not compliant. Results indicate that factors such as age, gender, education, and employment status do not significantly affect treatment adherence. However, knowledge and treatment duration were found to be significant determinants, with knowledge being the most dominant factor (p = 0.004, OR = 16.029). The findings suggest that enhancing patient education and support systems is crucial to improving adherence and treatment outcomes. Further efforts are needed to increase awareness and ensure effective utilization of available healthcare services.
Molecular docking of triterpene glycoside compounds (cucurbitane, charantin and momordicin) in bitter gourd (Momordica charantia L.) fruit as anti-diabetes mellitus type 2 Cristiannanda, Daniel; Hati, Dinda Mutiara; Hafid, Gina Mutia; Anggini, Joya Talitha; Setiawati, Luh Gede Elen; Putri, Mutiara; Chandra, Nabella Oktaviana; Auli, Winni Nur Auli; Saputro, Anjar Hermadi
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.68

Abstract

Diabetes mellitus is a chronic metabolic disorder characterized by elevated blood glucose levels due to impaired insulin secretion, insulin resistance, or both. Type 2 diabetes mellitus (T2DM) accounts for approximately 90% of all diabetes cases and remains a significant global health challenge. Current pharmacological treatments often have limited efficacy and adverse side effects, necessitating the exploration of safer, more effective antidiabetic agents. Momordica charantia (bitter melon) is a medicinal plant known for its hypoglycemic properties, attributed to bioactive compounds such as cucurbitane-type triterpenoid glycosides, charantin, and momordicin. This study evaluated the potential of cucurbitane, charantin, and momordicin as antidiabetic agents for T2DM using molecular docking simulations. The crystal structure of aldose reductase (PDB ID 2HV5) was obtained from the Protein Data Bank, and AutoDock Tools 1.5.7 was used for docking studies. The binding affinities and interaction patterns of the test compounds were compared with zopolrestat, a standard ligand. Cucurbitane exhibited the lowest binding free energy (-11.70 kcal/mol), indicating the strongest interaction with the 2HV5 protein. All compounds demonstrated similarities in their interactions with key amino acid residues, suggesting comparable biological activity. These findings highlight cucurbitane’s potential as a lead compound for developing more effective antidiabetic therapies for T2DM.
Molecular docking of alkaloid compounds from the pule pandak plant (Rauvolfia serpentina L.) as inhibitors of angiotensin-converting enzyme Rahma, Annisa Nur; Aghalfi, Revin Rindra Aghalfi; Panggabean, Diva Selviana; Muflihah, Hanny; Gusman, Adisti Faradilla; Aulia, Yasinta Sahma; Regita, Putu Ayu; Auli, Winni Nur; Saputro, Anjar Hermadi
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.69

Abstract

Hypertension is a major global health issue requiring effective treatments with minimal side effects. The angiotensin-converting enzyme (ACE) is a key target in hypertension therapy, and plant-derived compounds are being explored as potential ACE inhibitors. The pule pandak plant (Rauvolfia serpentina L.) contains alkaloid compounds that may have antihypertensive properties. This study aimed to evaluate the potential of alkaloid compounds (ajmaline, rescinnamine, reserpine, and serpentine) from the pule pandak plant as antihypertensive agents using an in silico molecular docking approach. Molecular docking was conducted to analyze the binding affinity of the alkaloid compounds to the ACE protein (PDB ID: 1UZF). Binding free energy values were calculated using AutoDockTools software. The ajmaline-1UZF complex exhibited the lowest binding free energy (-5.89 kcal/mol), indicating the strongest binding affinity among the tested compounds. This suggests that ajmaline has the highest inhibitory potential for ACE.
Molecular docking analysis of acetogenin and procyanidin, components of soursop (Annona muricata Linn.) seed, as potential anti-cervical cancer agents Pravita, Nabila Cahya; Fazilla, Rizki Fakhri; Febrian, Tobi; Mellina, Echa Dian; Kumara, Gusti Made Bagus; Nugraha, Muhammad Aditya; Vernanda, Pramyudha; Auli, Winni Nur; Saputro, Anjar Hermadi
Pharmacy Reports Vol. 3 No. 2 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.71

Abstract

Cervical cancer is one of the most prevalent cancers among women. This study aimed to investigate the molecular interactions of acetogenin and procyanidin, compounds found in soursop (Annona muricata Linn.) seed extract, as potential anti-cervical cancer agents using a molecular docking approach. The software tools used included Biovia Discovery Studio® 2024, Autodock Tools 1.5.6, Avogadro, pkCSM, PubChem, Notepad++, and Molview. Molecular docking analysis focused on the interaction of these compounds with the human vaccinia-related kinase 2 (VRK-2) protein (PDB ID: 5UU1). The native ligand-5UU1 protein complex exhibited two hydrogen bonds, a binding free energy of -8.84 kcal/mol, and an inhibition constant of 331.88 nM. In comparison, acetogenin formed three hydrogen bonds with 5UU1, achieving a binding free energy of -7.33 kcal/mol and an inhibition constant of 4.21 nM. Similarly, procyanidin also formed three hydrogen bonds, with a binding free energy of -2.99 kcal/mol and an inhibition constant of 6.38 nM. The results indicate that both acetogenin and procyanidin have potential as anti-cervical cancer agents, with acetogenin demonstrating stronger binding affinity and inhibition potential compared to procyanidin.
Exploring the anti-diabetic potential of stevia-derived compounds through PPAR-γ targeted molecular docking Putri, Amalia Sonita; Prawicha, Ertika Agtha; Putri, Esterike Alfatien; Wulandari, Indah; Saputri, Mutiara Anggun; Syakilla, Nadia Nur; Hidayati, Putri Aulia Nurul; Auli, Winni Nur; Saputro, Anjar Hermadi
Pharmacy Reports Vol. 3 No. 2 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.78

Abstract

This study explores the potential of Stevia rebaudiana Bertoni-derived compounds as anti-diabetic agents by targeting the peroxisome proliferator-activated receptor gamma (PPAR-γ), a key regulator of glucose metabolism. Utilizing in silico molecular docking, we evaluated the binding affinities of four stevia-derived compounds (dulcoside A, steviol, isosteviol, steviolmonoside) and compared them to the native ligand (J35) and the well-known PPAR-γ agonist, rosiglitazone. Isosteviol exhibited the strongest binding affinity to PPAR-γ, with a binding energy of -8.89 kcal/mol, surpassing that of rosiglitazone (-8.26 kcal/mol) and closely following the native ligand (-9.01 kcal/mol). The interactions between isosteviol and PPAR-γ included multiple hydrogen bonds and hydrophobic interactions. These findings indicate that isosteviol, along with other stevia-derived compounds, has a potential as a natural anti-diabetic agent.
Potential of cocoa (Theobroma cacao) shell for diabetic neuropathy targeting transient receptor potential canonical (TRPC): an in silico study Pangestu, Maryo Adjie; Sarmoko; Purwanata, I Gede Raditya; Zusela, Titah
Pharmacy Reports Vol. 2 No. 3 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.80

Abstract

Diabetic neuropathy, a painful complication of diabetes mellitus, may potentially be treated with compounds found in cocoa pods. This study investigates the interactions of various flavonoids (catechin, epicatechin, quercetin, luteolin, apigenin, naringenin, and procyanidin) contained in the cocoa pod to the Canonical Transient Receptor Potential (TRPC6) receptor. Molecular docking, facilitated by Autodock software, was employed to predict the binding affinities of these compounds to TRPC6. This involved preparing the molecular structures of the flavonoids and the TRPC6 protein for simulation. The simulation provided insights into the binding efficiencies and interaction energies between the flavonoids and TRPC6. The findings indicate that procyanidin and quercetin exhibit the highest binding energies, at -7.15 kcal/mol and -6.37 kcal/mol, respectively. Procyanidin interacts with the amino acid residues Ala508, Arg609, Arg758, Asn765, Asp530, Glu512, His446, and Met505, while quercetin binds to Arg758, Asp530, Glu512, and Glu524. These results highlight the potential of quercetin and procyanidin as candidates for the development of TRPC6-targeted treatments for diabetic neuropathy. This study lays the groundwork for the creation of new, effective, and safe diabetic neuropathy medications.
Utility analysis of outpatient hypertensive patients with and without comorbidities using the EQ-5D-5L instrument: A study at UPTD Puskesmas Pagerageung, Tasikmalaya Regency, West Java Priatna, Muharam; Maulida, Putri Salma; Alifiar, Ilham
Pharmacy Reports Vol. 4 No. 1 (2024): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.81

Abstract

Hypertension is a chronic condition often requiring lifelong treatment, which can impact patients’ quality of life (QoL) in physical, psychological, and social domains. The presence of comorbid conditions alongside hypertension can further deteriorate QoL. Health utility measurement, particularly in hypertensive patients with comorbidities, is crucial for understanding these compounded effects. This study aims to evaluate and compare the quality of life utility in hypertensive patients with and without comorbidities using the EQ-5D-5L instrument, focusing on how comorbid conditions influence overall QoL. A descriptive observational study with a cross-sectional design was conducted among 100 hypertensive patients treated at UPTD Puskesmas Pagerageung, Tasikmalaya, from January to March 2024. Participants were selected through purposive sampling. The EQ-5D-5L questionnaire was used to assess utility scores, which were calculated using an Indonesian-specific value set. Chi-square and Post Hoc LSD analyses were applied to explore relationships between utility scores and demographic factors such as age, gender, and occupation. The average utility score for hypertensive patients without comorbidities was 0.669, higher than that of patients with comorbid conditions. Specifically, patients with diabetes mellitus, osteoarthritis, gastric conditions, heart disease, and severe comorbidities (e.g., kidney disease, cataracts, stroke) had average scores of 0.578, 0.640, 0.651, 0.537, and 0.148, respectively. Age was significantly associated with utility scores (p = 0.014), whereas gender and occupation showed no significant impact. Hypertensive patients without comorbidities had a better quality of life utility than those with additional health issues. Targeted management of comorbidities is essential to improve the quality of life among hypertensive patients, especially in those facing compounded health challenges.
Evaluation of natural compounds as VEGFR-2 inhibitors for breast cancer therapy: insights from molecular docking and drug-likeness analysis Aprilia, Vika; Sarmoko; Fareza, Muhamad Salman; Baroroh, Hanif Nasiatul; Choironi, Nur Amalia
Pharmacy Reports Vol. 4 No. 2 (2024): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.82

Abstract

Breast cancer remains one of the most common cancers worldwide, with VEGFR-2 (KDR) playing a key role in tumor angiogenesis. Inhibiting VEGFR-2 is a promising therapeutic strategy. Natural compounds are increasingly studied for their potential to inhibit VEGFR-2. This study aims to assess the binding affinity of 11 natural compounds (andrographolide, alpha-mangostin, pinostrobin, pinocembrin, ethyl-p-methoxycinnamate (EPMS), xanthorrhizol, galangin, gamma-mangostin, curcumin, cinnamaldehyde, and alashanoid B) to the VEGFR-2 protein through molecular docking and Lipinski's rule analysis, identifying promising candidates for breast cancer treatment. Molecular docking simulations were performed for 11 compounds and sunitinib as a control, with binding energies and interactions analyzed. The compounds were also evaluated for drug-likeness using Lipinski’s rule of five. Curcumin showed the highest binding affinity to VEGFR-2 with a binding energy of -9.9 kcal/mol, surpassing sunitinib (-9.4 kcal/mol). Key interactions were observed with active site residues Cys919 and Asp1046. All tested compounds met the criteria for oral bioavailability per Lipinski’s rules. Curcumin demonstrates potential as a VEGFR-2 inhibitor due to its favorable binding affinity and drug-like properties. Enhancing curcumin’s bioavailability is recommended for effective therapeutic application.

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