Garuda - Garba Rujukan Digital

ANTIVIRAL ACTIVITY OF FABACEAE AND ASTERACEAE FLAVONOID COMPOUNDS AGAINST SARS-CoV-2 ON SPIKE PROTEIN, MAIN PROTEASE (Mpro) AND RNA DEPENDENT RNA POLYMERASE (RdRp) RECEPTORS WITH IN SILICO METHOD: ANTIVIRAL ACTIVITY OF FABACEAE AND ASTERACEAE FLAVONOID COMPOUNDS AGAINST SARS-CoV-2 ON SPIKE PROTEIN, MAIN PROTEASE (Mpro) AND RNA DEPENDENT RNA POLYMERASE (RdRp) RECEPTORS WITH IN SILICO METHOD Lekal, Tresia; Kesuma, Dini; Azminah, Azminah
Pharmaceutical Journal of Indonesia Vol. 8 No. 2 (2023)
Publisher : Brawijaya University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.pji.2023.008.02.2

This study was conducted to test the antiviral activity of flavonoid compounds of Fabaceae tribe (Clitoria ternatea, Caesalpinia sappan, Leucaena leucocephala, Indigofera tinctoria) and Asteraceae tribe (Eclipta prostrata, Artemisia vulgaris, Blumea balsamifera, Chromolaena odorata) against SARS-CoV-2 on spike protein, Mpro and RdRp receptors by molecular docking method in silico. The results of molecular docking with AutoDock Vina showed that the flavonoid compounds apigenin and juglanin (Leucaena leucocephala), semiglabrin and glabratephrin (Indigofera tinctoria), apigetrin (Eclipta prostrata), acacetin (Chromolaena odorata) had binding energies close to, equivalent and better than the original ligand and Comparator of each receptor.

ANTIVIRAL ACTIVITY OF FABACEAE AND ASTERACEAE FLAVONOID COMPOUNDS AGAINST SARS-CoV-2 ON SPIKE PROTEIN, MAIN PROTEASE (Mpro) AND RNA DEPENDENT RNA POLYMERASE (RdRp) RECEPTORS WITH IN SILICO METHOD: ANTIVIRAL ACTIVITY OF FABACEAE AND ASTERACEAE FLAVONOID COMPOUNDS AGAINST SARS-CoV-2 ON SPIKE PROTEIN, MAIN PROTEASE (Mpro) AND RNA DEPENDENT RNA POLYMERASE (RdRp) RECEPTORS WITH IN SILICO METHOD Lekal, Tresia; Kesuma, Dini; Azminah, Azminah
Pharmaceutical Journal of Indonesia Vol. 8 No. 2 (2023)
Publisher : Brawijaya University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.pji.2023.008.02.2

This study was conducted to test the antiviral activity of flavonoid compounds of Fabaceae tribe (Clitoria ternatea, Caesalpinia sappan, Leucaena leucocephala, Indigofera tinctoria) and Asteraceae tribe (Eclipta prostrata, Artemisia vulgaris, Blumea balsamifera, Chromolaena odorata) against SARS-CoV-2 on spike protein, Mpro and RdRp receptors by molecular docking method in silico. The results of molecular docking with AutoDock Vina showed that the flavonoid compounds apigenin and juglanin (Leucaena leucocephala), semiglabrin and glabratephrin (Indigofera tinctoria), apigetrin (Eclipta prostrata), acacetin (Chromolaena odorata) had binding energies close to, equivalent and better than the original ligand and Comparator of each receptor.

HUBUNGAN KUANTITATIF STRUKTUR SENYAWA N-(FENILKARBAMOTIOIL)-BENZAMIDA DAN TURUNANNYA TERHADAP AKTIVITAS ANTI TUBERKULOSIS SECARA IN SILICO Adi Kusuma Suardini, Luh; Kesuma, Dini
CERATA Jurnal Ilmu Farmasi Vol 13 No 1 (2022): Cerata Jurnal Ilmu Farmasi
Publisher : Universitas Muhammadiyah Klaten

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61902/cerata.v13i1.456

Penelitian secara in silico dilakukan terhadap senyawa N-(fenilkarbamotioil)-benzamida dan turunannya dengan prediksi aktivitas sebagai anti tuberkulosis. Senyawa N- (fenilkarbamotioil)-benzamida dan turunannya memiliki gugus farmakofor dan mekanisme kerja yang sama dengan Isoniazid yaitu menghambat enzim inhA (kode PDB: 2NV6). Analisis hubungan antara struktur, sifat fisika kimia (lipofilik, elektronik, dan sterik) dari senyawa N- (fenilkarbamotioil)-benzamida dan turunanannya terhadap aktivitas, bioavailabilitas, dan toksisitas secara in silico sebagai anti tuberkulosis dilakukan agar diperoleh persamaan hubungan kuantitatif struktur aktivitas (HKSA) terbaik. Hasil prediksi aktivitas anti tuberkulosis dengan persamaan HKSA terbaik yaitu, Aktivitas = -2,239 π 2 + 6,049 π – 2,917 σ + 3,267 Es – 78,090 (n = 20; r = 0,689; SE = 5,014; F = 3,382; Sig. = 0,037). Hasil prediksi bioavailabilitas dengan persamaan HKSA terbaik yaitu, Bioavailabilitas = -0,86 π 2 + 0,98 π – 2,34 σ + 89,78 (n = 20; r = 0,69; SE = 1,05; F = 4,80; Sig. = 0,01). Hasil prediksi toksisitas dengan persamaan HKSA terbaik yaitu, Toksisitas = 7,25 π 2 + 1,09 π + 9,59 Es + 2869,36 (n= 20; r = 0,66; SE = 12,70; F = 4,16; Sig. = 0,02). Hasil penelitian ini disimpulkan bahwa aktivitas anti tuberkulosis paling dipengaruhi oleh sifat lipofilik dibandingkan sifat sterik dan elektronik.

Aktivitas Sitotoksik Ekstrak Biji Alpukat (Persea americana Mill.) pada Sel Kanker Payudara dan Serviks Secara In Silico dan In Vitro Kirtishanti, Aguslina; Kesuma, Dini; C, Fadita Trisa; Tuga, Maria Claudia Dwiyanti
MPI (Media Pharmaceutica Indonesiana) Vol. 4 No. 2 (2022): DECEMBER
Publisher : Fakultas Farmasi, Universitas Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24123/mpi.v4i2.5296

Kanker payudara dan servik merupakan kanker dengan jumlah terbanyak di Indonesia. Kemoterapi sebagai terapi kanker memiliki banyak efek samping, oleh karena itu diperlukan pengembangan obat antikanker terutama dari bahan alam yang efektif dan memiliki efek samping minimal. Salah satu bahan alam yang diprediksi mempunyai aktivitas antikanker adalah biji alpukat (Persea americana Mill.). Penelitian ini bertujuan untuk menentukan aktivitas sitotoksik ekstrak etanol biji alpukat pada sel kanker payudara dan serviks secara in silico dan in vitro. Senyawa aktif dalam biji alpukat di docking dengan reseptor estrogen (PDB code: 3ERT) and reseptor SIRT1 (PDB code: 4I5I) menggunakan program Molegro Virtual Docker 5.5 (MVD). Aktivitas sitotoksik secara in vitro dilakukan menggunakan metode Microculture Tetrazolium Technique (MTT) pada sel kanker payudara (MCF7), sel kanker serviks (HeLa) dan sel normal (Vero). Biji alpukat berisi 10 senyawa aktif yang diprediksi mempunyai aktivitas sitotoksik. Hasil uji in silico menunjukkan bahwa epicatechin gallate mempunyai nilai rerank score paling rendah yaitu -118,397 kkal/mol pada reseptor estrogen dan -133,694 kkal/mol pada reseptor SIRT1. Aktivitas sitotoksik secara in vitro ditunjukkan dengan nilai IC50 sebesar 537,37 μg/mL (MCF7), 383,21 μg/mL (HeLa) dan 541,67 μg/mL (Vero). Dari hasil uji in vitro menyatakan bahwa ekstrak etanol biji alpukat tidak memiliki aktivitas sitotoksik pada sel kanker MCF7 dan memiliki aktivitas sitotoksik lemah pada sel HeLa. Breast and cervical cancer are cancers with the highest number in Indonesia. Chemotherapy, as one of the mainstay treatments of cancer, can cause harmful side effects; and, therefore, it is necessary to develop anticancer drug from natural ingredients with good efficacy and minimal side effects. One of the natural ingredients that is predicted to have anticancer activity is avocado seed (Persea americana Mill.). This study aimed to evaluate the in-vitro and in-silico cytotoxic activity of avocado seed extract on breast and cervical cancer cells. The active compounds in avocado seeds were docked with estrogen receptors (PDB code: 3ERT) and SIRT1 receptors (PDB code: 4I5I) using the MVD program. Cytotoxic activity in vitro was carried out using the MTT method on breast cancer cells (MCF7), cervical cancer cells (HeLa) and normal cells (Vero). Avocado seed contains 10 active compounds which are predicted to have cytotoxic activity. The findings from in-silico test showed that the “epicatechin gallate” had the lowest rerank score, i.e. -118.397 kcal/mol for the estrogen receptor and -133.694 kcal/ mol for the SIRT1 receptor. Cytotoxic activity in vitro was shown by IC50 values of 537.37 μg/mL (MCF7), 383.21 μg/mL (HeLa) and 541.67 μg/mL (Vero), respectively. The findings from in-vitro test showed that the avocado seed extract did not have cytotoxic activity on MCF7 cells and had weak cytotoxic activity on HeLa cells.

Kajian Pembentukan Dispersi Padat Atenolol Menggunakan Metode Freeze Drying Maulita, Arina Swastika; Winantari, Agnes Nuniek; Rani, Karina Citra; Pradana, Aditya Trias; Kesuma, Dini
MPI (Media Pharmaceutica Indonesiana) Vol. 7 No. 1 (2025): JUNE
Publisher : Fakultas Farmasi, Universitas Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24123/mpi.v7i1.7334

Atenolol merupakan obat golongan β1-adrenoblocker selektif yang digunakan untuk mengobati kondisi kardiovaskular seperti hipertensi dan angina pektoris. Namun, atenolol memiliki kelarutan dan permeabilitas yang rendah hal ini dapat membatasi bioavailabilitas oralnya. Salah satu metode yang efektif untuk meningkatkan kelarutan dan laju disolusi obat dengan kelarutan rendah adalah melalui pembentukan dispersi padat. Dispersi padat melibatkan pembawa obat dalam matriks yang bersifat inert dalam keadaan padat, yang dapat meningkatkan kelarutan dan stabilitas obat. Metode freeze drying (liofilisasi) digunakan dalam pembuatan dispersi padat atenolol untuk menghindari dekomposisi termal dan menghasilkan dispersi molekuler yang homogen. Karakterisasi dispersi padat yang dihasilkan meliputi analisis morfologi, identifikasi gugus fungsi, sifat kristalinitas, analisis termal, ukuran partikel, distribusi ukuran partikel, dan potensi zeta. Pada berbagai penelitian sebelumnya menunjukkan bahwa dispersi padat dapat meningkatkan kelarutan dan laju disolusi atenolol secara signifikan. Atenolol is a selective β1-adrenoblocker drug used to treat cardiovascular conditions such as hypertension and angina pectoris. However, atenolol has low solubility and permeability, which can limit its oral bioavailability. One effective method to increase the solubility and dissolution rate of drugs with low solubility is through the formation of solid dispersions. Solid dispersions involve drug carriers in an inert matrix in the solid state, which can increase the solubility and stability of the drug. The freeze drying (lyophilization) method is used in the preparation of atenolol solid dispersions to avoid thermal decomposition and produce homogeneous molecular dispersions. Characterization of the resulting solid dispersions includes morphological analysis, identification of functional groups, crystallinity properties, thermal analysis, particle size, particle size distribution, and zeta potential. Various previous studies have shown that solid dispersions can significantly increase the solubility and dissolution rate of atenolol. Submitted: 05-02-2025, Revised: 10-04-2025, Accepted: 16-05-2025, Published regularly: June 2025

Penggunaan Obat Herbal untuk Meningkatkan Libido Mencit Jantan (Mus musculus): Tribulus terrestris dan Panax ginseng Kirtishanti, Aguslina; Wulansari, Devyani Diah; Kesuma, Dini; Dwi Putri, I Gusti Ayu Laksmi; Rahmadinar, Amirah Nabila
JURNAL ILMU KEFARMASIAN INDONESIA Vol 21 No 2 (2023): JIFI
Publisher : Faculty of Pharmacy, Universitas Pancasila

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35814/jifi.v21i2.1485

Tribulus terrestris and Panax ginseng are two therapeutic plants that might increase libido. The aim of the study was to see the effects of herbal medicine containing Tribulus terrestris and Panax ginseng on increasing male mice libido. This study used mice divided into two sets of 7 and 14 days. Each group was divided into four parts: control (solvent), comparator (Vitan), and test 1 (herbal medicine). Parameters measured were mice sexual behaviour (introduction, climbing, coitus), sperm concentration, sperm motility, and testicular weight. Except for coitus behaviour, there were no significant changes between groups in the 7 days of treatment. There were significant differences in introduction and climbing behaviour between the control group and test 2 after 14 days of treatment, but not in other parameters. There were no significant variations in any parameters of the mice’s libido between 7 and 14 days of treatment with 1x dose of herbal medicine; however, with 2x doses, only introduction behaviour showed a significant difference. Based on the research results, it can be concluded that administering two doses of herbal medicine can increase the frequency of treatment for 14 days.

PREDIKSI ADMET DAN MOLECULAR DOCKING METABOLIT SEKUNDER CENTELLA ASIATICA SEBAGAI CALON ANTIKANKER PAYUDARA Fadhilah Faza, Farah; Kesuma, Dini; Azminah
Pharmacoscript Vol. 7 No. 1 (2024): Pharmacoscript
Publisher : Lembaga Penelitian dan Pengabdian Masyarakat, Universitas Perjuangan Tasikmalaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36423/pharmacoscript.v7i1.1413

Kanker payudara merupakan penyakit yang ditandai oleh pembelahan sel payudara yang tidak terkendali, karena mutasi atau perubahan abnormal. Doxorubicin adalah agen kemoterapi standart untuk kanker payudara, namun memiliki efek samping dan dapat menyebabkan resistensi obat. Pemanfaatan bahan alam Indonesia dapat digunakan sebagai sarana pengobatan alternatif/komplementer, dengan keunggulan efek samping relatif kecil dibanding bahan kimia sintetis. Centella asiatica adalah salah satu tanaman yang dapat dimanfaatkan untuk pengobatan tradisional antikanker. Dalam pengembangan dan penemuan obat baru membutuhkan biaya yang besar, waktu yang lama serta tenaga yang banyak karena perlu dilakukan uji coba dan sintesis pada sebagian besar prosesnya tanpa adanya desain atau alasan yang jelas. Penelitian ini bertujuan untuk mengetahui aktivitas sitotoksik metabolit sekunder Centella asiatica, secara in silico. Pengujian yang dilakukan adalah prediksi sifat fisikokimia druglikeness, ADME-Tox, serta molecular docking metabolit sekunder dan obat pembanding Doxorubicin terhadap target reseptor SIRT1 (kode PBD: 4I5I.pdb) mengguankan program Autodock Vina. Dengan hasil energi ikatan yang lebih baik daripada obat pembanding Doxorubicin (-9,46kkal/mol), yaitu 3-O-cis-Caffeoylquercetin (-10.34kkal/mol), Quercetin (-10.28kkal/mol), dan 3-O-cis-Coumaroyl-kaempferol (-10.19kkal/mol). Maka metabolit sekunder Centella asiatica terbaik secara in sillico, yang dapat digunakan sebagai calon antikanker payudara adalah 3-O-cis-Caffeoylquercetin.

Molecular Docking: Study of Chalcone Derivatives from Boesenbergia pandurata Targeting Estrogen Receptor Alpha (ER–a) for Breast Cancer Amelia, Marsha Anggita; Kesuma, Dini; Kirtishanti, Aguslina; Sumartha, I Gede Ari; Claudya, Maria
Jurnal Penelitian Pendidikan IPA Vol 10 No 11 (2024): November
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v10i11.8734

The increasing number of cancer patients and the challenge of multidrug resistance (MDR) demand more effective drugs, which can be developed by modifying compounds derived from natural resources, such as the flavonoid-rich temu kunci rhizome (Boesenbergia pandurata (Roxb.) Schlecht.). This study aims to predict the cytotoxicity and toxicity of 20 Pinostrobin derivatives and 19 Chalcone derivatives as potential anticancer candidates. Estrogen receptor alpha (ER-α), a validated cancer therapy target, was used for molecular docking in in silico tests using Molecular Graphics Laboratory (MGL) Tools (including, AutoDock Vina, AutoDock Tools 4.1, and Python 2.5.2) and PyRx Program. Toxicity was predicted using the pkCSM program and Protox online tool. The docking process involved binding the compounds to ER-α (PDB IDs 6CHZ and 3ERT), with the binding energy indicating activity; lower binding energy values suggest greater cytotoxic potential and stronger ligand-receptor interactions. The results showed that Chalcone derivatives from temu kunci exhibited lower toxicity and higher cytotoxic activity compared to Pinostrobin derivatives and the reference compound, Tamoxifen (TAM). Notably, Bis-3-chlorobenzyloxychalcone and Bis-2-chlorobenzyloxychalcone demonstrated the highest predicted cytotoxic activity. In conclusion, Chalcone derivatives are promising candidates for further development as more effective anticancer drugs, especially those that outperform Tamoxifen. These findings highlight the potential of natural compounds, particularly Chalcone derivatives, in combating cancer while addressing the growing challenge of MDR in clinical treatments.

Activities of Chalcone Derivatives from Boesenbergia rotunda Against Human Estrogen Receptor Alpha of Breast Cancer by In Silico Claudya, Maria; Kesuma, Dini; Kirtishanti, Aguslina; Sumartha, I Gede Ari; Amelia, Marsha Anggita
Jurnal Penelitian Pendidikan IPA Vol 10 No 10 (2024): October
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v10i10.8865

The high prevalence of cancer must be overcome with prompt and appropriate prevention and treatment. New drug design is an effort to develop existing drugs, and their molecular structure and biological activity have been known through structural modification. It encourages researchers to explore Indonesia's natural resources, especially plants with anticancer activity, namely by synthesizing chalcone-derived compounds derived from the isolation of Fingerroot rhizomes (Boesenbergia rotunda). The most common flavonoid compound found in rhizomes fingerroot plants is pinostrobin. Pinostrobin compounds and their derivatives are synthesized, resulting in chalcone compounds and their derivative modifications. The author conducted an in-silico test on pinostrobin compounds and 19 of their derivatives, chalcone compounds, and 18 derivatives using estrogenic-a receptors with PDB codes 3ERD and 1G50. The author hoped that from this silico test, compounds with more potential as anticancer for breast cancer would be obtained based on the results of docking with 3ERD and 1G50 receptors and can then be synthesized. In the results of this study, the compounds Bis-4-bromobenzyoxychalcone and Bis-4-chlorobenzyloxychalcone are the most appropriate compounds to be synthesized. It is hoped that in the future, they can be continued with activity tests of these compounds, both in vitro and in vivo, because these compounds are predicted to have the best activity and do not have hepatotoxic or other toxicity effects

Title

Found 9 Documents
Search

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Title Search

Found 9 Documents Search

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Abstract

Title

Found 9 Documents
Search