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Study of Molecular Docking, Molecular Dynamics, Pharmacokinetics and Toxicity Prediction: Compounds from Nigella sativa Linn, Andrographis paniculata Nees, and Propolis as Inhibitors of Mycobacterium tuberculosis Growth Asarini; Abdillah, Syamsudin; Sani, Yulvian; Alam, Gemini
Basic and Applied Nursing Research Journal Vol 5 No 2 (2024): Basic and Applied Nursing Research Journal (BANRJ)
Publisher : Future Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11594/banrj.05.02.02

Background: Tuberculosis (TB) is caused by *Mycobacterium tuberculosis*, and Multiple Drug-Resistant Tuberculosis (MDR-TB) arises from resistance to first-line treatments like Rifampicin and Isoniazid. Since current TB medications have been used for over four decades, discovering new drug candidates is critical. This research focuses on herbal compounds—Black cumin (*Nigella sativa*), Sambiloto (*Andrographis paniculata*), and propolis—as potential inhibitors of *M. tuberculosis* by targeting DHFR. The objective of the study is to predict the activity of these herbal compounds prior to in vitro and in vivo testing. Methods: This study employed computational tools, including Molegro Virtual Docking (MVD) and Molecular Dynamics (MD), to assess the interactions of the herbal compounds with DHFR (PDB ID: 2CIG). Pharmacokinetic predictions were also conducted to evaluate the absorption and toxicity of the compounds. Results: Molecular docking and MD simulations indicated that Andrographolide, Thymoquinone, and Caffeic Acid Phenethyl Ester effectively inhibited the growth of *M. tuberculosis*. The analysis revealed favorable binding interactions and conformational changes in DHFR, with significant activity observed for Thymoquinone. Conclusion: This study suggests that Andrographolide, Thymoquinone, and Caffeic Acid Phenethyl Ester may serve as promising candidates for further development as anti-tuberculosis drugs. Subsequent in vitro and in vivo studies are warranted to validate their therapeutic potential.

Uji Disolusi Terbanding Tablet Pirazinamide Produk Generik Berlogo dan Produk Bermerek Fajriani, Nuzul; Asarini, Asarini
Archives Pharmacia Vol 7, No 1 (2025): ARCHIVES PHARMACIA
Publisher : Lembaga Penerbitan Universitas Esa Unggul

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47007/ap.v7i1.9113

Pirazinamide adalah obat suatu obat antibiotik yang digunakan untuk mengobati tuberkulosis. Sediaan Pirazinamide dalam bentuk tablet termasuk ke dalam Biopharmaceuticals Classification System (BCS) kelas III. Obat yang tergolong ke dalam BCS kelas III memiliki kelarutan tinggi, namun memiliki permeabilitas yang rendah. Disolusi merupakan proses dimana zat kimia atau obat, larut dalam suatu pelarut. Faktor yang mempengaruhi disolusi diantaranya adalah sifat fisikokimia zat aktif, formulasi sediaan, bentuk sediaan, alat disolusi, dan parameter uji. Tujuan penelitian ini untuk mengetahui ekivalensi in vitro dan perbandingan mutu dari tablet produk obat generik berlogo dan produk bermerek menggunakan media disolusi berupa larutan dapar fosfat pH 6,8 dengan metode paddle (dayung) dengan kecepatan pengadukan 100 rpm, pada suhu 370C ± 0,50C. Sampel cuplikan diambil pada menit ke 5, 10, 15, 20, 30 dan 45. Parameter uji yang diamati adalah kadar obat terlarut pada saat t=45 menit (C45) dengan parameter standar baku C45 menunjukkan hasil tidak boleh kurang dari 75% kadar obat. Hasil penelitian didapatkan bahwa disolusi tablet pirazinamide masing-masing produk baik obat generik berlogo maupun produk bermerek menunjukkan gambaran profil disolusi yang berbeda. Dari 7 sampel diperoleh 3 produk paten dan 2 produk generik semuanya menunjukkan hasil disolusi dengan nilai C45 yang memenuhi syarat (³75)

THE ANTIMYCOBACTERIAL POTENTIAL OF SAMBILOTO (Andrographis paniculata Nees) EXTRACT AGAINST Mycobacterium tuberculosis H37Rv WITH Microscopic-Observation AND Drug-Susceptibility (MODS) METHODE Asarini; Abdillah, Syamsudin; Sani, Yulvian; Alam, Gemini
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 1 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.8626

Andrographis paniculata, commonly known as sambiloto, is empirically used for various treatments, including its ability to inhibit the growth of Mycobacterium tuberculosis (M. tuberculosis). This study aims to evaluate the growth inhibition activity of M. tuberculosis strain H37Rv using sambiloto herb extract (Andrographis paniculata). The sambiloto extract was prepared using the maceration method. M. tuberculosis was grown on MODS medium, and the toxicity of sambiloto (A. paniculata) was analyzed using pharmacokinetic prediction studies (pkCMS). The results showed that at concentrations of 0.255 mg/ml, 1.275 mg/ml, and 2.55 mg/ml of sambiloto extract, M. tuberculosis growth occurred on days 7 to 14. Further observations were made until day 28, and it was found that starting at a concentration of 6.375 mg/ml, sambiloto extract did not show M. tuberculosis growth in MODS medium. The positive control, isoniazid, did not show bacterial growth, while the negative control showed extensive bacterial growth on day 12. The determination of M. tuberculosis growth was based on microscopic observations of the bacterial colonies, focusing on cord formation. In conclusion, this study, the use of an extract with a concentration of 6.375 mg/ml in the MODS method showed no growth of Mycobacterium tuberculosis, indicating that the extract is effective in inhibiting bacterial growth at this concentration. The online pkCSM test conducted in this study showed that the extract used is not cytotoxic, meaning that the extract is safe for body cells and does not cause cellular damage. Therefore, it has the potential to be an adjunct therapy in the treatment of tuberculosis.

THE ANTIMYCOBACTERIAL POTENTIAL OF SAMBILOTO (Andrographis paniculata Nees) EXTRACT AGAINST Mycobacterium tuberculosis H37Rv WITH Microscopic-Observation AND Drug-Susceptibility (MODS) METHODE Asarini; Abdillah, Syamsudin; Sani, Yulvian; Alam, Gemini
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 1 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.8626

Andrographis paniculata, commonly known as sambiloto, is empirically used for various treatments, including its ability to inhibit the growth of Mycobacterium tuberculosis (M. tuberculosis). This study aims to evaluate the growth inhibition activity of M. tuberculosis strain H37Rv using sambiloto herb extract (Andrographis paniculata). The sambiloto extract was prepared using the maceration method. M. tuberculosis was grown on MODS medium, and the toxicity of sambiloto (A. paniculata) was analyzed using pharmacokinetic prediction studies (pkCMS). The results showed that at concentrations of 0.255 mg/ml, 1.275 mg/ml, and 2.55 mg/ml of sambiloto extract, M. tuberculosis growth occurred on days 7 to 14. Further observations were made until day 28, and it was found that starting at a concentration of 6.375 mg/ml, sambiloto extract did not show M. tuberculosis growth in MODS medium. The positive control, isoniazid, did not show bacterial growth, while the negative control showed extensive bacterial growth on day 12. The determination of M. tuberculosis growth was based on microscopic observations of the bacterial colonies, focusing on cord formation. In conclusion, this study, the use of an extract with a concentration of 6.375 mg/ml in the MODS method showed no growth of Mycobacterium tuberculosis, indicating that the extract is effective in inhibiting bacterial growth at this concentration. The online pkCSM test conducted in this study showed that the extract used is not cytotoxic, meaning that the extract is safe for body cells and does not cause cellular damage. Therefore, it has the potential to be an adjunct therapy in the treatment of tuberculosis.

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