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Introducing a two‐dimensional graph of docking score difference vs. similarity of ligand‐receptor interactions Mohammad Rizki Fadhil Pratama; Hadi Poerwono; Siswandono Siswodihardjo
Indonesian Journal of Biotechnology Vol 26, No 1 (2021)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijbiotech.62194

Abstract

Observation of molecular docking results was generally performed by analyzing the docking score and the interacting amino acid residues separately either in tables or graphs. Sometimes it was not easy to rank the tested ligands’ docking results, especially if there were many ligands. This study aims to introduce a new way to analyze docking results with a two‐dimensional graph between the difference in docking score and the similarity of ligand‐receptor interactions. Molecular docking was performed with one reference ligand and several test ligands. The docking score difference was obtained between the test and the reference ligands as the graph’s x‐axis. Meanwhile, the y‐axis contains the similarity of ligand‐receptor interactions, obtained from the ratio of amino acid residues and the types of interactions between the test and reference ligands. Docking result analysis was more straightforward because two critical parameters were presented in one graph. This graph could be used to support the analysis of the docking results.
REVITALISASI USAHA KECIL MENENGAH DHARMA BOGA BOJONEGORO MELALUI PELATIHAN CARA PRODUKSI DAN REGISTRASI PANGAN YANG BAIK SERTA HALAL Isnaeni; Noor Erma Nasution; Sugijanto; Hadi Poerwono; Juni Ekowati; Siswandono; Marcellino Rudyanto; Kholis Amalia Nofianti; Achmad Syahrani; Suzana
Panrita Abdi - Jurnal Pengabdian pada Masyarakat Vol. 5 No. 2 (2021): Jurnal Panrita Abdi - April 2021
Publisher : LP2M Universitas Hasanuddin

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20956/pa.v5i2.5754

Abstract

Abstract. The independence of food supply in Indonesia is supported by the abundant diversity of natural ingredients from vegetable, animal and mineral sources. Compared to drugs, dependence on food products in other countries is relatively lower, because the fabrication requires facilities and infrastructure that can be fulfilled domestically. The regulatory system managed by the Republic of Indonesia Drug and Food Control Agency (BPOM-RI) has been implemented to ensure that food products consumed by the public are of high quality, nutritious, safe, halal, and affordable and with a taste that satisfies user communities. Circular-worthy products must at least meet the registration requirements of halal aspects, maximum microbial limits and chemical contamination. The growth of Micro, Small and Medium Enterprises (MSMEs) is also facilitated by the government. Dharma Boga is one of the Small and Medium Enterprises (UKM) in Klangon sub-district, Bojonegoro which is engaged in food production for more than 10 years. Some problems related to registration, halal certification and handling of production, especially food additives that meet requirements, has been communicated to the Community Service Team (PENMAS) Faculty of Pharmacy, Airlangga University (FFUA). Alhamdulillah, PENMAS activities with training materials on how to produce and register good and halal food have been carried out with satisfactory results, although it still needs to be followed up with a partnership for the MSME revitalization program in the future. Of the three parameters used to measure participants' understanding of training material, the average obtained more than 30% showed an increase. For the introduction of the halal logo and the dangers of formaldehyde, 100% of the message is understood. The training involved experts and stakeholders in the authority of the East Java Indonesian Ulama Council and the teaching staff and the Airlangga University Faculty of Pharmacy Testing Service Unit.         Abstrak. Kemandirian penyediaan pangan di Indonesia didukung oleh diversitas bahan alam yang melimpah baik dari sumber nabati, hewani, maupun mineral. Dibandingkan obat, ketergantungan produk pangan pada negara lain relatif lebih rendah, karena fabrikasinya membutuhkan fasilitas dan infrastruktur yang dapat terpenuhi di dalam negeri. Sistem regulasi yang dikelola oleh Badan Pengawas Obat dan Makanan Republik Indonesia (BPOM-RI) telah diberlakukan untuk menjamin produk makanan yang dikonsumsi masyarakat berkualitas, bergizi, aman, halal, dan terjangkau serta dengan rasa yang memuaskan selera masyarakat. Produk yang laik edar minimal harus memenuhi persyaratan registrasi dari aspek halal, batas maksimum mikroba dan cemaran bahan kimia. Tumbuh kembangnya Usaha Mikro, Kecil dan Menengah (UMKM) juga difasilitasi oleh pemerintah. Dharma Boga adalah salah satu Usaha Kecil Menengah (UKM) di kecamatan Klangon, Bojonegoro yang bergerak dibidang produksi makanan selama lebih dari 10 tahun. Beberapa permasalahan terkait registrasi, sertifikasi halal dan penanganan produksi terutama bahan tambahan makanan yang memenuhi persyaratan, telah dikomunikasikan kepada Tim Pengabdian kepada Masyarakat (PENMAS) Fakultas Farmasi Univeritas Airlangga (FFUA). Alhamdulillah kegiatan PENMAS dengan materi pelatihan cara produksi dan registrasi pangan yang baik serta halal telah dilaksanakan dengan hasil yang memuaskan, walaupun masih perlu ditindaklanjuti dengan jalinan kerjasama untuk program revitalisasi UMKM di masa mendatang. Dari tiga parameter yang digunakan untuk mengukur pemahaman peserta terhadap materi pelatihan, rerata yang diperoleh lebih dari 30% menunjukkan peningkatan. Untuk pengenalan logo halal dan bahaya formalin, 100% peserta sudah paham. Pelatihan melibatkan pakar dan pemangku kewenangan dari Majelis Ulama Indonesia Jawa Timur dan para staf pengajar serta Unit Layanan Pengujian Fakultas Farmasi Universitas Airlangga.
STRUCTURE MODIFICATION OF ANDROGRAPHOLIDE TO IMPROVE ITS POTENCY AS ANTICANCER Hadi Poerwono; Yoshiyuki Hattori; Hajime Kubo; Kimio Higashiyama
Indonesian Journal of Chemistry Vol 7, No 2 (2007)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (88.267 KB) | DOI: 10.22146/ijc.21699

Abstract

Andrographolide, a diterpenoid lactone isolated from the herb of Andrographis paniculata and known to possess antitumor activity in breast cancer models was subjected to semisynthesis leading to the preparation of a number of derivatives. After protection of the two hydroxyl groups present at C-3 and C-19 to give 3,19-isopropylidene and 3,19-benzylidene andrographolides, the remaining hydroxyl group at C-14 of andrographolide was treated with acid anhydride or acid chloride under base condition. Unfortunately, the reactions gave only 14-dehydroandrographolide as well as unidentified diacyl compounds in replace of the target molecule 14-O-acyl andrographolide. An alternative procedure using neat acetic anhydride under reflux gave the acetyl derivatives. The resulted compounds exhibited cytotoxic activity against MCF-7 breast cancer cells with better growth inhibition than the parent compound andrographolide.
UJI IN SILICO AKTIVITAS ANALGESIK DAN TOKSISITAS SENYAWA TURUNAN N-BENZOIL-N’-4-METOKSIFENILTIOUREA SEBAGAI CALON OBAT ANALGESIK Juwanti, Aulia; Purwanto, Bambang Tri; Poerwono, Hadi
Jurnal Wiyata Penelitian Sains dan Kesehatan Vol 11, No 2 (2024)
Publisher : LP2M IIK (Lembaga Penelitian dan Pengabdian Masyarakat Institut Ilmu Kesehatan) Bhakti Wiy

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.56710/wiyata.v11i2.863

Abstract

Abstrak Latar belakang : Senyawa N-(Benzoil)-N’-4-metoksifeniltiourea mempunyai gugus farmakofor yang sama dengan asam mefenamat yang mempunyai aktivitas sebagai analgesik, sehingga layak dijadikan senyawa induk untuk dikembangkan lebih lanjut melalui modifikasi struktur. Tujuan : Penelitian ini bertujuan untuk memprediksi aktivitas analgesik dan toksisitas dari duapuluh senyawa turunan N-(Benzoil)-N’-4-metoksifeniltiourea sebagai calon obat analgesik. Salah satu mekanisme kerja turunan N-(Benzoil)-N’-4-metoksifeniltiourea sebagai analgesik adalah menghambat COX2, yang berperan penting dalam mengubah asam arakidonat menjadi prostaglandin. Metode : Aktivitas biologis dapat diprediksi melalui pemodelan molekul yang disebut uji in silico,menggunakan program molecular operating environment (MOE) sedangkan toksisitas dapat diprediksi menggunakan program pkCSM. Uji in silico dilakukan dengan melakukan docking senyawa yang akan diprediksi aktivitasnya dengan target reseptor COX2, PDB 5IKR. Hasil : Hasil docking berupa energi ikatan digambarkan dengan nila Score (S). Senyawa dengan nilai S kecil berarti mempunyai ikatan ligan-reseptor yang stabil dan diprediksi mempunyai aktivitas yang besar. Dari hasil uji in silico disimpulkan bahwa turunan N-(benzoil)-N’-4-metoksifeniltiourea diprediksi menimbulkan toksisitas relative rendah, dan mempunyai aktivitas yang lebih besar dibandingkan asam mefenamat. Simpulan : N-(Etoksibenzoil)-N’-4-metoksifeniltiourea diprediksi mempunyai aktivitas analgesik paling besar sehingga senyawa terpilih untuk disintesis dan dikembangkan lebih lanjut. Abstract Background: The compound N-(benzoyl)-N'-4-methoxyphenylthiourea has the same pharmacophore group as mefenamic acid which has analgesic activity, so it is suitable to be used as a parent compound for further development through structural modification. Objective: This study aims to predict the analgesic activity and toxicity of twenty N-(benzoyl)-N'-4-methoxyphenylthiourea derivative compounds as candidate analgesic drugs. One of the mechanisms of action of the N-(benzoyl)-N'-4-methoxyphenylthiourea derivative as an analgesic is to inhibit COX2, which plays an important role in converting arachidonic acid into prostaglandins. Method: Biological activity can be predicted through molecular modeling called in silico testing, using the molecular operating environment (MOE) program, while toxicity can be predicted using the pkCSM program. The in silico test is carried out by docking the compound whose activity will be predicted with the target receptor COX2, PDB ID 5IKR. Results: The docking results in the form of bond energy are described by the value Score (S). A compound with a small S value means it has a stable ligand-receptor bond and is predicted to have large activity. From the in silico test results, it was concluded that the N-(benzoyl)-N'-4-methoxyphenylthiourea derivative is predicted to cause relatively low toxicity, and has greater activity than mefenamic acid. Conclusion: N-(Ethoxybenzoyl)-N'-4-methoxyphenylthiourea are predicted to have the greatest analgesic activity so the compounds were selected for synthesis and further development.
Pemanfaatan Suplemen Makanan Secara Tepat Guna untuk Menjaga dan Meningkatkan Daya Tahan Tubuh Diyah, Nuzul Wahyuning; Poerwono, Hadi; Nofianti, Kholis Amalia; Poernomo, Achmad Toto; Hidayati, Shabrina Wahyu; Isnaeni, Isnaeni
Camellia : Clinical, Pharmaceutical, Analytical and Pharmacy Community Journal Vol 3 No 2 (2024): Camellia (Clinical, Pharmaceutical, Analytical, and Pharmacy Community Journal)
Publisher : Universitas Muhammadiyah Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30651/cam.v3i2.24882

Abstract

Komponen makanan telah dikenal memberikan fungsi perlindungan terhadap benda asing yang mengakibatkan masalah kesehatan bagi masyarakat. Mikronutrien seperti vitamin dan mineral sangat penting bagi tubuh manusia dan kebutuhan hariannya harus dipenuhi melalui sumber makanan. Jika kebutuhan harian tidak terpenuhi karena beberapa kondisi, maka diperlukan tambahan suplemen makanan. Beberapa vitamin dan mineral berfungsi sebagai imunomodulator dan melindungi respons imun inang, sehingga mencegah penurunan daya tahan tubuh akibat serangan patogen. Berdasarkan acuan berbagai penelitian, artikel ini membahas fungsi suplemen vitamin dan mineral sebagai imunomodulator dalam meningkatkan daya tahan tubuh melalui sistem imun dan mekanisme kerja yang memperantarai fungsi ini. Kekurangan vitamin dan mineral dapat menyebabkan penurunan kinerja sistem imun, yang menjadi penyebab utama keadaan patologis dan imunologis yang tidak menguntungkan. Dari berbagai hasil penelitian secara in vitro dan in vivo dapat disimpulkan bahwa mikronutrien utama yang berperan dalam respons imun, yaitu: vitamin A, C, D, E, B6, B12, folat, dan mineral seng, zat besi, tembaga, dan selenium, dapat meningkatkan daya tahan tubuh terhadap infeksi.  Kekurangan asupan harian mikronutrien dari makanan dapat diatasi dengan memanfaatkan suplemen makanan.
Drug and cosmetic safety training for cadres of family welfare program Tristiana Erawati; Dewi Melani Hariyadi; Noorma Rosita; Widji Soeratri; Tutiek Purwanti; Hadi Poerwono; Marcellino Rudyanto; Helmy Yusuf; Djoko Agus Purwanto; I Nyoman Wijaya
Abdimas: Jurnal Pengabdian Masyarakat Universitas Merdeka Malang Vol. 9 No. 2 (2024): May 2024
Publisher : University of Merdeka Malang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26905/abdimas.v9i2.11161

Abstract

In order to increase public understanding and awareness regarding the safety use of drugs and cosmetics, the Community Service Team of the Faculty of Pharmacy, Airlangga University has held community service in Jonggrangan Village, Klaten, Central Java. The community service was carried out on July 31, 2023, with approximately 60 family welfare programs or PKK cadres and health cadres participating through training, presentations, and discussions. The activity began with a pre-test, continued with training, a presentation of the material by three experts, and a discussion, then ended with giving a post-test to the participants. The results of the pre and post-test analysis showed that participants' understanding increased. The results of the analysis of the answers to the 15 questions given showed that the increase in participants' understanding ranged from  2.13-46.02 percent. The impact of these activities on society. The increase in participants' understanding of each topic is not the same depending on the initial understanding. However, the problem is that the level of public understanding after receiving training is still below 50 percent namely on topics about the stages of using cosmetic products and about drug classification. So it is necessary to deepen the material using other strategies (appropriate methods and media).
Edukasi dan Pelatihan Pemanfaatan Tanaman Obat Keluarga di Desa Dlingo Bantul sebagai Upaya Pencapaian Tujuan SDGs di Bidang Kesehatan: Education and Training on the Use of Family Medicinal Plants in Dlingo Village, Bantul, as an Initiative to Support the Achievement of Health-Related SDGs Sukardiman, Sukardiman; Kusumawati, Idha; Handayani, Rosita; Sudjarwo, Sudjarwo; Munandar, Tristiana Erawati; Yusuf, Helmy; Diyah, Nuzul Wahyuning; Poerwono, Hadi; Purwanto, Bambang Tri
PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat Vol. 10 No. 7 (2025): PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/pengabdianmu.v10i7.10042

Abstract

Global health issues have become increasingly urgent following the COVID-19 pandemic, which resulted in approximately 6.6 million deaths by 2022. This impact has prompted communities to revert to traditional medicines, aligning with the National Development Planning System (RPJPN) 2005-2025, which promotes a health paradigm through traditional remedies. Community service activities were carried out in partnership with the Ngudi Makmur Farmer Group (POKTAN) in Dlingo Village, Bantul Regency. The primary objective of this activity was to enhance residents’ knowledge in Dlingo Village regarding the benefits and processing of Family Medicinal Plants (TOGA). The methods employed included material development, counseling sessions, question-and-answer discussions, and direct practical training in the preparation of aromatherapy candles. Evaluation was undertaken using pretests and posttests, which demonstrated a significant increase in participants’ understanding. The average scores rose from 81.67 (pretest) to 132.5 (posttest), with a statistically significant difference (p <0.001). These findings indicate that the counseling was effective in improving knowledge about TOGA and its utilization in producing aromatherapy candles. Such activities not only enhance awareness but also reinforce community autonomy in managing traditional medicinal resources, in line with the health-related objectives of the Sustainable Development Goals (SDGs).
Pemberdayaan UMKM Melalui Pelatihan Pembuatan Produk Berbasis Probiotik Di Desa Candi, Sidoarjo Kusumawati, Idha; Hendradi, Esti; Isnaeni, Isnaeni; Diyah, Nuzul Wahyuning; Purwanti, Tutiek; Widyawaruyanti, Aty; Poernomo, Achmad Toto; Poerwono, Hadi; Paramita, Diajeng Putri; Ekasari, Wiwied
Jurnal Masyarakat Madani Indonesia Vol. 4 No. 3 (2025): Agustus
Publisher : Alesha Media Digital

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.59025/vmwny271

Abstract

Kegiatan pengabdian masyarakat ini bertujuan untuk memberdayakan UMKM di Desa Candi, Sidoarjo melalui pelatihan pembuatan produk berbasis probiotik-herbal. Program ini dilatarbelakangi oleh peran strategis UMKM dalam perekonomian Indonesia dan potensi pengembangan produk pangan fungsional probiotik-herbal. Metode pelaksanaan meliputi tahap persiapan, pelaksanaan pelatihan, dan evaluasi. Pelatihan diikuti oleh 48 peserta UMKM dan mencakup pemberian materi oleh narasumber ahli serta praktik langsung pembuatan yogurt-herbal. Hasil menunjukkan peningkatan signifikan dalam pengetahuan peserta, dengan kenaikan rata-rata 36,24 poin antara pre-test dan post-test. Evaluasi keseluruhan menunjukkan respon sangat positif, dengan mayoritas peserta menyatakan materi mudah dipahami (75,6% sangat setuju) dan pelatihan bermanfaat (65,9% sangat setuju). Program ini berhasil meningkatkan kapasitas UMKM dalam mengembangkan produk inovatif berbasis probiotik-herbal, membuka peluang diversifikasi produk dan pasar baru bagi UMKM setempat.
UJI IN SILICO AKTIVITAS ANALGESIK DAN TOKSISITAS SENYAWA TURUNAN N-BENZOIL-N’-4-METOKSIFENILTIOUREA SEBAGAI CALON OBAT ANALGESIK Juwanti, Aulia; Purwanto, Bambang Tri; Poerwono, Hadi
Jurnal Wiyata Penelitian Sains dan Kesehatan Vol 11 No 2 (2024)
Publisher : LP2M IIK (Lembaga Penelitian dan Pengabdian Masyarakat Institut Ilmu Kesehatan) Bhakti Wiy

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.56710/wiyata.v11i2.863

Abstract

Abstrak Latar belakang : Senyawa N-(Benzoil)-N’-4-metoksifeniltiourea mempunyai gugus farmakofor yang sama dengan asam mefenamat yang mempunyai aktivitas sebagai analgesik, sehingga layak dijadikan senyawa induk untuk dikembangkan lebih lanjut melalui modifikasi struktur. Tujuan : Penelitian ini bertujuan untuk memprediksi aktivitas analgesik dan toksisitas dari duapuluh senyawa turunan N-(Benzoil)-N’-4-metoksifeniltiourea sebagai calon obat analgesik. Salah satu mekanisme kerja turunan N-(Benzoil)-N’-4-metoksifeniltiourea sebagai analgesik adalah menghambat COX2, yang berperan penting dalam mengubah asam arakidonat menjadi prostaglandin. Metode : Aktivitas biologis dapat diprediksi melalui pemodelan molekul yang disebut uji in silico,menggunakan program molecular operating environment (MOE) sedangkan toksisitas dapat diprediksi menggunakan program pkCSM. Uji in silico dilakukan dengan melakukan docking senyawa yang akan diprediksi aktivitasnya dengan target reseptor COX2, PDB 5IKR. Hasil : Hasil docking berupa energi ikatan digambarkan dengan nila Score (S). Senyawa dengan nilai S kecil berarti mempunyai ikatan ligan-reseptor yang stabil dan diprediksi mempunyai aktivitas yang besar. Dari hasil uji in silico disimpulkan bahwa turunan N-(benzoil)-N’-4-metoksifeniltiourea diprediksi menimbulkan toksisitas relative rendah, dan mempunyai aktivitas yang lebih besar dibandingkan asam mefenamat. Simpulan : N-(Etoksibenzoil)-N’-4-metoksifeniltiourea diprediksi mempunyai aktivitas analgesik paling besar sehingga senyawa terpilih untuk disintesis dan dikembangkan lebih lanjut. Abstract Background: The compound N-(benzoyl)-N'-4-methoxyphenylthiourea has the same pharmacophore group as mefenamic acid which has analgesic activity, so it is suitable to be used as a parent compound for further development through structural modification. Objective: This study aims to predict the analgesic activity and toxicity of twenty N-(benzoyl)-N'-4-methoxyphenylthiourea derivative compounds as candidate analgesic drugs. One of the mechanisms of action of the N-(benzoyl)-N'-4-methoxyphenylthiourea derivative as an analgesic is to inhibit COX2, which plays an important role in converting arachidonic acid into prostaglandins. Method: Biological activity can be predicted through molecular modeling called in silico testing, using the molecular operating environment (MOE) program, while toxicity can be predicted using the pkCSM program. The in silico test is carried out by docking the compound whose activity will be predicted with the target receptor COX2, PDB ID 5IKR. Results: The docking results in the form of bond energy are described by the value Score (S). A compound with a small S value means it has a stable ligand-receptor bond and is predicted to have large activity. From the in silico test results, it was concluded that the N-(benzoyl)-N'-4-methoxyphenylthiourea derivative is predicted to cause relatively low toxicity, and has greater activity than mefenamic acid. Conclusion: N-(Ethoxybenzoyl)-N'-4-methoxyphenylthiourea are predicted to have the greatest analgesic activity so the compounds were selected for synthesis and further development.
Bibliometric Study of Microwave-Assisted Synthesis of Flavanone Derivatives Poerwono, Hadi; Rudyanto, Marcellino
Borneo Journal of Pharmacy Vol. 6 No. 4 (2023): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v6i4.5602

Abstract

This study aims to describe various studies related to synthesizing flavanone derivatives using the microwave-assisted method with a bibliometric approach. Metadata information was collected from Scopus on June 30th, 2023, with three keywords (microwave-assisted OR microwave, synthesis, and flavanone) searched for article titles, abstracts, and keywords. Analysis and research mapping were carried out with VOSviewer. Of the 33 articles relevant for analysis, 15 keyword clusters were obtained, most of which contained a list of flavanone derivatives. Interestingly, none of these clusters contain keywords for well-known compounds from the flavanone group, such as pinostrobin, pinocembrin, or hesperetin. In other words, there is an excellent opportunity to obtain novelty for microwave-assisted derivatization studies of flavanones. The chances of publication of these studies are greater in Chemistry of Heterocyclic Compounds (Springer Nature), Oriental Journal of Chemistry (Scientific Publishers), and Tetrahedron Letters (Elsevier), each with three documents. Meanwhile, most researchers on this topic come from India with 13 documents. This information allows researchers on this topic to determine potential flavanones that have the opportunity to be derivatized by the microwave-assisted method.