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Performance Evaluation of Molecularly Imprinted Polymer using Propanol as Porogen for Atenolol Recognition in Human Serum Suherman, Meilia; Susanti, Ike; Rahayu, Driyanti; Pratiwi, Rimadani; Nur Hasanah, Aliya
Indonesian Journal of Pharmaceutical Science and Technology Vol 6, No 1 (2019 In Press)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (532.992 KB) | DOI: 10.15416/ijpst.v6i1.18671

Abstract

Atenolol is a cardiovascular drug that has a narrow therapeutic index with long-term use and it’s often used as doping. Atenolol has a small concentration in human boby and it’s in  biological matrix (serum) so in the testing need a selective extraction so  the analyte can be pra-concentration and removed from matrix. Two molecularly imprinted polymers (MIPs) on propanol as porogen  have been made with two different methods i.e. bulk polymerization and precipitation polymerization. The polymer was made using atenolol as a template, methacrylic acid as a functional monomer, and ethylene glycol dimethacrylate as a crosslinker. Prformance evaluations showed that polymers from bulk polymerization provide better performance than polymers from precipitation polymerization when tested against standard solution. However, this sorbent has low  recovery percentage after applied into serum sample and could not be used as alternative for atenolol extraction in human serum.Key words: Molecularly imprinted polymer, Atenolol, Solid Phase Extraction, Preparation  method, propanol.
IN SILICO STUDY: SECONDARY METABOLITES FROM JAMBOLAN (Syzygium Cumini L.) AS POTENTIAL BREAST CANCER TREATMENTS Suherman, Meilia; Junaedi, Effan Cahyati; Prasetiawati, Riska; Purnamasari, Ade Rena
Jurnal Ilmiah Farmako Bahari Vol 15, No 2 (2024): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v15i2.3254

Abstract

Breast cancer ranks second in world cancer incidence rates in 2020, contributing to 2,261,419 new cases, or 11.7% of all new cancer cases globally. The search for cancer drugs that work selectively continues to be encouraged to obtain safe and effective therapy, particularly those derived from medicinal plants. Jambolan is a plant that can thrive in both subtropical and tropical climates, including Indonesia. Jambolan (Syzygium cumini L.) has 89% antioxidant activity and 69% cytotoxic activity against T47D cells. Pharmacophore modelling and molecular docking were used to study the binding of 117 active jambolan drugs to alpha and beta estrogen receptors. Rutin was found to be potentially selective for ER-Beta receptors, with a fit score of 53.13. Molecular docking to ER-Beta revealed that rutin has breast cancer activity with a free bond energy value of -10.5 kcal/mol and better conformation and affinity than native ligands (genistein). It also binds to essential amino acids as an anticancer breast at ARG 346 and GLU 305. Lipinski's rule of five prediction results and in silico ADMET prediction from rutin yielded results that met the candidate drug's parameters. Rutin is a potential therapeutic option for treating breast cancer by targeting the ER-Beta receptor.
IN SILICO STUDY: SECONDARY METABOLITES FROM JAMBOLAN (Syzygium Cumini L.) AS POTENTIAL BREAST CANCER TREATMENTS Suherman, Meilia; Junaedi, Effan Cahyati; Prasetiawati, Riska; Purnamasari, Ade Rena
Jurnal Ilmiah Farmako Bahari Vol 15 No 2 (2024): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v15i2.3254

Abstract

Breast cancer ranks second in world cancer incidence rates in 2020, contributing to 2,261,419 new cases, or 11.7% of all new cancer cases globally. The search for cancer drugs that work selectively continues to be encouraged to obtain safe and effective therapy, particularly those derived from medicinal plants. Jambolan is a plant that can thrive in both subtropical and tropical climates, including Indonesia. Jambolan (Syzygium cumini L.) has 89% antioxidant activity and 69% cytotoxic activity against T47D cells. Pharmacophore modelling and molecular docking were used to study the binding of 117 active jambolan drugs to alpha and beta estrogen receptors. Rutin was found to be potentially selective for ER-Beta receptors, with a fit score of 53.13. Molecular docking to ER-Beta revealed that rutin has breast cancer activity with a free bond energy value of -10.5 kcal/mol and better conformation and affinity than native ligands (genistein). It also binds to essential amino acids as an anticancer breast at ARG 346 and GLU 305. Lipinski's rule of five prediction results and in silico ADMET prediction from rutin yielded results that met the candidate drug's parameters. Rutin is a potential therapeutic option for treating breast cancer by targeting the ER-Beta receptor.
In silico study: secondary metabolites from malay apple (Syzygium malaccense (L.) Merr. & L.M. Perry) as potential breast cancer treatments Prasetiawati, Riska; Fauzan, Nawadhir; Suherman, Meilia
Pharmaciana Vol. 13 No. 3 (2023): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.12928/pharmaciana.v13i3.26537

Abstract

Breast cancer has the highest prevalence of all cancers. Breast cancer has overtaken lung cancer as the leading cause of global cancer incidence in 2020, accounting for 2,261,419 new cases, or 11.7% of all new cancer cases worldwide. Among the efforts that can be done are efforts to find breast cancer medications that are safe and selective for the treatment and prevention of cancer, particularly those derived from medicinal plants. The Malay apple (Syzygium malaccense (L.) Merr. and L.M. Perry) is one plant that has been extensively examined and proved to have an antiproliferative effect. The pharmacophore modelling, molecular docking, and molecular dynamic approach was conducted on 155 active compounds of Malay apple to alpha and beta estrogen receptors. According on the results of ER-lamda docking, numerous substances have binding free energy values less than 4-OHT yet are not bound to important amino acids, as the result, it is not continued to the next test. On other side, with a fit score of 45.81, rutin was potentially selective for ER-beta receptors, molecular docking to ER-beta obtained that rutin was predicted to have breast cancer activity with a free binding energy value of -10.6 kcal /mol with better conformation and affinity compared to native ligand (genistein), and bound to essential amino acids as anticancer breast at ARG 346, GLU 305,  and molecular dynamics simulations show that the compound has good stability when binding to the receptor. In silico toxicity prediction from rutin showed outcomes that match the requirements for the candidate drug. However, because it does not match the ADME prediction and Lipinsky's rule of five, rutin must be optimalization to improve its pharmacokinetic and pharmacological profile before it can be further explored as a therapeutic option for the treatment of breast cancer that targets the ER- receptor.
Raising Awareness Among Food Vendors About The Importance of Choosing Safe Food Packaging Suherman, Meilia; Lubis, Novriyanti
Indonesian Journal of Community Empowerment (IJCE) Vol 7 No 1 (2026): Indonesian Journal of Community Empowerment (Februari)
Publisher : Fakultas Kewirausahaan Universitas Garut

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35899/ijce.v7i1.1140

Abstract

Jajan merupakan suatu kebiasaan yang hampir semua orang pernah melakukannya. Salah satunya dengan membeli makanan di pedagang kalai lima dengan harganya yang murah, tapi rasanya nikmat. Umumnya konsumen tidak memperhatikan jenis kemasan yang digunakan oleh pedagang untuk mengemas produknya, sehingga bisa saja ternyata dapat mennyebabkan bahaya. Kegiatan Pengabdian kepada Masyarakat (PKM) ini bertujuan untuk meningkatkan pengetahuan pedagang kaki lima mengenai bahaya penggunaan kertas bertinta sebagai kemasan makanan. Metode yang digunakan adalah survei lokasi pedagang, pemberian pertanyaan, serta penyampaian materi melalui brosur. Hasil menunjukkan bahwa mayoritas pedagang memiliki latar belakang pendidikan menengah, namun tingkat pengetahuan terkait bahaya tinta pada kemasan masih rendah. Sebagian besar pedagang menggunakan kertas bekas bertinta karena alasan murah dan praktis, meskipun berpotensi menimbulkan risiko kesehatan akibat migrasi zat kimia berbahaya ke dalam makanan. Penyuluhan yang dilakukan terbukti dapat meningkatkan pemahaman pedagang, dan lebih dari separuh menyatakan kesediaan untuk beralih menggunakan kemasan yang lebih aman. Kegiatan ini diharakan berlanjut agar dapat memberikan kontribusi nyata dalam melindungi kesehatan konsumen serta mendorong pedagang memilih kemasan yang lebih layak.
Studi In Silico Potensi Senyawa Bioaktif Teh Kewer Garut (Cassia occidentalis Linn) sebagai Antikanker Paru Junaedi, Effan Cahyati; Suherman, Meilia; Palawah, Riandi
Jurnal Ilmiah Farmako Bahari Vol 17 No 1 (2026): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v17i1.43323

Abstract

Kanker paru merupakan salah satu penyebab utama morbiditas dan mortalitas global, dengan non-small cell lung cancer (NSCLC) sebagai subtipe yang paling umum. Salah satu upaya pengembangan terapi yang efektif dan aman adalah melalui eksplorasi senyawa bioaktif dari tanaman tradisional. Teh Kewer, teh khas Garut, Indonesia, dikenal mengandung senyawa antioksidan tinggi dan berpotensi sebagai agen antikanker yang menargetkan pada reseptor EGFR. Penelitian ini bertujuan mengidentifikasi dan memvalidasi potensi senyawa bioaktif teh Kewer (Cassia occidentalis Linn) sebagai kandidat antikanker paru menggunakan pendekatan in silico. Metodologi ini mengintegrasikan beberapa pendekatan skrining komputasional, termasuk skrining 37 senyawa bioaktif untuk aktivitas potensialnya, pemodelan farmakofor, dan penambatan molekuler untuk memprediksi interaksi senyawa dengan EGFR, protein target dalam patogenesis kanker paru-paru. Selain itu, simulasi dinamika molekuler selama 100 ns dilakukan untuk mengevaluasi stabilitas kompleks protein-ligan. Hasil pengujian menunjukkan bahwa Afzelin adalah senyawa terbaik dengan energi ikatan terendah (ΔG) sebesar -10,33 kkal/mol. Selain itu analisis dinamika molekuler mengonfirmasi stabilitas kompleks Afzelin-EGFR, dengan RMSD yang dapat diterima sebesar 2,121 Å dan fluktuasi minimal dalam interaksi dengan residu aktif esensial (MET793). Walaupun terdapat keterbatasan dalam memenuhi kriteria Lipinski’s rule of five dan parameter farmakokinetik, potensi ini dapat ditingkatkan melalui optimasi struktur kimia. Sehingga Afzelin merupakan senyawa yang berpotensi sebagai agen antikanker paru.
In Silico Study of Bioactive Compounds from Syzygium malaccense Targeting HER2 and Progesterone Receptors in Breast Cancer Fauzan, Nawadhir; Prasetiawati, Riska; Suherman, Meilia; Novitasari, Dhania; Muchtaridi, Muchtaridi
Indonesian Journal of Cancer Chemoprevention Vol 16, No 1 (2025)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev16iss1pp1-14

Abstract

Breast cancer remains one of the most common causes of cancer-related deaths among women, with progesterone receptor (PR) and human epidermal growth factor receptor 2 (HER2) being key molecular targets in its progression. This study aimed to explore the potential of bioactive compounds from Syzygium malaccense that have exhibited anticancer activities, as targeted inhibitors for PR and HER2, using computational approaches. A total of 155 compounds were initially screened for anticancer potential using the Prediction of Activity Spectra for Substances (PASS), identifying 80 compounds for further analysis. Drug-likeness and pharmacokinetic predictions indicated that several compounds complied with the Rule of Five (RO5) and had favorable absorption and distribution profiles, suggesting their suitability as oral drug candidates. Molecular docking revealed that quercetin exhibited favorable interactions with PR, particularly involving the ARG 766 residue, while myricetin demonstrated strong binding affinity to HER2, surpassing trastuzumab, and interacting with key residues Asp 863, Lys 753, Ala 751, and Leu 796. Molecular dynamics simulations confirmed the stability of the Myricetin-HER2 complex under physiological conditions over 15 ns, supporting its potential as a HER2 inhibitor. These findings highlight myricetin and quercetin as promising natural compounds for breast cancer therapy targeting HER2 and PR, respectively. However, further experimental validation, including in vitro and in vivo studies, is necessary to confirm their therapeutic efficacy and safety. Overall, this study supports Syzygium malaccense as a valuable source of natural bioactive compounds for breast cancer drug discovery.Keywords: in silico screening, Syzygium malaccense, breast cancer, progesterone receptor, HER2.