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Skrining senyawa Eurycoma longifolia terhadap siklus sel dengan metode docking melalui interaksi cylcin Samsul Hadi; Khoerul Anwar; Noer Komari; Desiya Ramayanti Azhara; Diah Aulia Rosanti
Jurnal Ilmiah Farmasi Vol. 18 No. 2 (2022): Jurnal Ilmiah Farmasi
Publisher : Universitas Islam Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20885/jif.vol18.iss2.art15

Abstract

Background: The community has known pasak bumi for generations to increase sexual desire in men (aphrodisiac). Besides, it can improve the performance of sports athletes and as an antistress, reduce tension, anger, and confusion. Objective: This relatively large number of uses encourages researchers to want to do in silico screening of active compounds against antitumors by going through 2 stages, namely through online PASS and docking. Method: Docking method to see the stability interaction of compounds with cyclin. In this test, Pyrx was used as a docking tool with various cell cycle-related targets, namely cyclin D3 (PDB ID: 3G33), cyclin A (PDB ID: IJSU), cyclin A (PDB ID, cyclin C (1ZP2), cyclin D (ID PDB: 2W9F), cyclin H (PDB ID: 1KXU), and cyclin T (PDB ID: 3BLR). Results: The docking result showed that each cyclin showed the best interaction with these compounds: Cyclin A and 9-Methoxycanthin-6-one 3-N-oxide (-8.6 Kcal/mol), cyclin H and Niloticin (-8.0 Kcal/mol), cyclin D3 is 9-Methoxycanthin-6-one 3-N-oxide (-7.2 Kcal/mol), cyclin D is Eurycolactone F (-8.4 Kcal/mol), cyclin C is and Niloticin (-7.5 Kcal/mol), and cyclin T and Niloticin (-8.2 Kcal/mol). Conclusion: Based on the docking score obtained, the stability of the interaction is predicted to occur in cyclin A and 9-Methoxycanthin-6-one 3-N-oxide (ΔG: -8.6 Kcal/mol). Intisari Latar belakang: Pasak bumi telah dikenal oleh masyarakat secara turun-temurun untuk meningkatkan gairah seksual pada pria (afrodisiaka). Disamping itu dapat meningkatkan performa atlet olahraga dan sebagai antistress, menurunkan tegangan, kemarahan, dan kebingungan. Tujuan: Penggunaan yang relatif banyak ini mendorong peneliti berkeinginan melakukan skrining senyawa aktif terhadap antitumor secara in silico dengan melalui 2 tahap yaitu melalaui PASS online dan docking. Metode: Metode docking dipakai untuk melihat interaksi stabilitas senyawa dengan cylin. Dalam pengujian ini, Pyrx digunakan sebagai alat docking dengan berbagai target yang berhubungan dengan siklus sel, yaitu cyclin D3 (PDB ID: 3G33), cyclin A (PDB ID: IJSU), cyclin C (PDB ID: 1ZP2), cyclin D (ID PDB: 2W9F), cyclin H (ID PDB: 1KXU), dan cyclin T (ID PDB: 3BLR). Hasil: Hasil docking pada masing-masing cyclin menunjukkan interaksi terbaik dengan senyawa berikut ini: cyclin A dan 9-Methoxycanthin-6-one 3-N-oxide (-8,6 Kkal/mol), cyclin H dan Niloticin (-8,0 Kkal/mol), cyclin D3 dan 9-Methoxycanthin-6-one 3-N-oxide (-7,2 Kkal/mol), cyclin D dan Eurycolactone F (-8,4 Kkal/mol), cyclin C dan Niloticin (-7,5 Kkal/mol), serta cyclin T dan Niloticin (-8,2 Kkal/mol). Kesimpulan: Berdasarkan skor docking yang diperoleh, kestabilan interaksi diprediksi akan terjadi pada cyclin A dengan 9-Methoxycanthin-6-one 3-N-oxide (ΔG: -8.6 Kkal/mol).
MODEL RLB TURUNAN NAFTAKUINON INHIBITOR SEL LINE HELA Samsul Hadi; Uripto Trisno Santoso; Muhammad Luthfi Firdaus
Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan Vol 7 No 2 (2022): JIIS
Publisher : Sekolah Tinggi Ilmu Kesehatan ISFI Banjarmasin

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36387/jiis.v7i2.966

Abstract

Cervical cancer is a disease that is dangerous for life. Naphtaquinone is an anticancer agent whose derivatives have been successfully synthesized, so it is necessary to study QSAR to evaluate its potency. The purpose of this study was to determine the molecular descriptors of naphtoquinone-derived compounds that have a significant effect on the anticancer activity of HeLa cells and compile them into a valid QSAR model. A total of 15 compounds from naphtoquinone derivatives were used for modeling. The descriptors that were tried included 1,863 topological descriptors and physico-chemical properties descriptors. Results of correlation analysis obtained 17 descriptors that are feasible to be tested in modeling. Results of backward method obtained 3 descriptors that have a significant effect, namely AATSC6Z, AATSC7m, and MAXaaCH. The MLR model based on 3 descriptors fulfills the goodness of fit requirements with R=0.873, R2=0.763, R 2 Adjusted=0.698, F value=0.0009 (Ftable=11.778). The results of the validation test using the CV-LOO method obtained a value of Q2=0.572 and CV-LMO obtained a value of Q2=0.518 so that this HKSA model can be stated as a valid HKSA model.
Autentikasi Batang Combertum Indicum varr. B terhadap Batang varr. M dengan Metode Spektrofotometri UV VIS-kemometrik. Samsul Hadi; Amalia khairunnisa; Salma Salma; Suci Kamelia
Lumbung Farmasi: Jurnal Ilmu Kefarmasian Vol 4, No 1 (2023): Januari
Publisher : UNIVERSITAS MUHAMMADIYAH MATARAM

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31764/lf.v4i1.10697

Abstract

Batang Melati belanda (Combretum indicum) mempunyai kandungan kimia seperti tanin, dimana tanaman ini memiliki dua varietas yang memungkinkan menghasilkan aktivitas yang berbeda yaitu varietas batang membulat dan varietas batang memanjang. Penelitian ini bertujuan mengidentifikasi spektra khas dari kedua varietas batang Melati belanda dengan pendekatan autentikasi dan adulterasi. Analisis dilakukan dengan metode sidik jari spektroskopi UV-VIS yang dikombinasikan dengan kemometrika PLSR serta analisis diskriminan. Hasil model prediksi terbaik ditunjukkan pada model normal rentang panjang gelombang 249.32-221.72 nm dengan nilai akurasi 100%, R2 kalibrasi 0.9987, R2 prediksi 0.998, RMSEC 1.71, dan REMSEP 0.786. Berdasarkan hasil tersebut kombinasi spektroskopi UV-VIS dan kemometrik dapat digunakan untuk identifikasi, diskriminasi, dan autentikasi dari varietas batang Combertum Indicum Varr. B terhadap batang Combertum Indicum Varr. M yaitu pada model normal panjang gelombang 249.32-221.72 nm
Determination of flavonoid levels of Macaranga gigantea and its activity as antioxidants Samsul Hadi; Dian Ekowati; Amalia Khairunnisa
Jurnal Pijar Mipa Vol. 18 No. 1 (2023): January 2023
Publisher : Department of Mathematics and Science Education, Faculty of Teacher Training and Education, University of Mataram. Jurnal Pijar MIPA colaborates with Perkumpulan Pendidik IPA Indonesia Wilayah Nusa Tenggara Barat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jpm.v18i1.4054

Abstract

One of the ways to prevent generative diseases is by using natural antioxidant compounds. The flavonoid compounds in the flower parts of M. gigantea have a role in antioxidants. Thus the study aimed to test the antioxidant activity and flavonoid levels of M. gigantea flowers. The antioxidant test was carried out by UV-vis spectrophotometry using 2,2-diphenyl-1-picrylhydrazyl and flavonoid assay using 10% aluminum chloride and potassium acetate, both tests using quercetin as a comparison. The results of this test obtained IC50 antioxidants 145,725 ± 3.858 ppm, and flavonoids were 1,860 ± 0.007% w/w eq quercetin. The conclusion from the experiments that have been carried out is that M. gigantea flowers have moderate antioxidant abilities.
Skrining senyawa Combretum Indicum sebagai inhibitor Caspase 3 secara In Silico Samsul Hadi; Salma Salma; Amalia khairunnisa; Suci Kamelia
Jurnal Farmasi Sains dan Terapan Vol 9, No 2 (2022): October
Publisher : Jurnal Farmasi Sains dan Terapan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33508/jfst.v9i2.3999

Abstract

Osteoarthritis ialah gangguan sendi degeneratif yang ditandai dengan erosi cartilage artikular. Salah satu protein yang mempunyai peran besar dalam penyakit ini adalah caspase sub type 3. Sehingga tujuan dari penelitian ini adalah skrining senyawa belanda yang berpotensi sebagai inhibitor caspase 3. Metode dari penelitian ini menggunakan seanyawa yang terkandung dalam Combretum indicum, data ini kemudian dilakukan docking menggunakan software PLANTS. Hasil dari penelitian ini adalah scor docking dari masing masing senyawa yaitu Isatin Sulfonamide -90,8975; Casuariin -92,4942; asquisqualic acid -90,8911; 1-desgalloyleugeniin -100,988; arachidonic acid -63,4613; Punicalin -88,2142; linoleic acid - 97,4111; gallic acid -59,1281; Rutin-95,3717; ellagic acid -63,6793; methyl ursolate -77,5611; flavogallonic acid -80,8221; Quisqualic acid -63,1281; brevifolin carboxylic acid -71,5203; Trigonelline-59,8987; Quercetin -74,4091; quinoline-4-carbonitrile -61,5971; β-sitosterol -87,3881; Pedunculagin-86,843 Lupeol -76,4221; Punicalagin -82,1754; linalool -67,8673; Eugeniin -100,7541.Oleh karena itu senyawa yang berpotensi sebagai inhibitor caspase 3 adalah Rutin, linoleic acid, asquisqualic acid, Eugenin, Casuariin, 1-desgalloyleugeniin.
Karamunting screening as an antifungal using the In Silico method targeting N-myristoyltransferase Samsul Hadi; Kunti Nastiti
Science Midwifery Vol 10 No 6 (2023): February: Midwifery and Health Sciences
Publisher : Institute of Computer Science (IOCS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35335/midwifery.v10i6.1134

Abstract

Karamunting has been empirically used by the community in overcoming itching disorders due to fungi. Therefore the purpose of this study was to screen in silico the content of Karamunting against N-myristoyltranseferase protein. The method used in this study was In Silico screening using PLANTS docking and the materials used were thirteen compounds contained in Karamunting. The results of this study are docking scores from -123.628 to -77.3801 and residues that have similarities with native ligands when interacting with N-myristoyltransferase, namely one to three amino acids, the predicted value using PASSonline ranges from 0.101 to 0.583. The conclusion of this study was obtained three compounds that have the potential as antifungals with the N-myristoyltransferase inhibitor mechanism, these compounds are α-tocopherol-quinone; α-tocopherol A; blumeatin.
Interaksi Asam Galat dan Metil Galat dari Tumbuhan Kasturi (Mangifera casturi) sebagai Inhibitor Protein Human Epidermal Growth Factor 2 (HER2): Evaluasi Molekular Docking NOER KOMARI; ROBIATUL ADAWIYAH; SAMSUL HADI; EKO SUHARTONO
Gunung Djati Conference Series Vol. 15 (2022): Prosiding Seminar Nasional Kimia Tahun 2022
Publisher : UIN Sunan Gunung Djati Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (293.647 KB)

Abstract

Kasturi (Mangifera casturi) is a endemic plant of Borneo. The polyphenol content of M. casturi leaves has antioxidant properties, including gallic acid and methyl gallic. The antioxidant potential of gallic acid and methyl gallate of M. casturi leaves is thought to inhibit the growth of breast cancer cells. Human Epidermal Growth Factor 2 (HER-2) protein is an important factor in the epidermal growth of breast cells and is also a target for breast cancer treatment. This study aims to investigate the potential of gallic acid and methyl gallic compounds from M. casturi as inhibitors of HER-2 protein. Molecular docking parameters in Gibbs free energy, interaction of gallic acid and methyl gallic ligands with HER-2 protein residues Kasturi (Mangifera casturi) is a endemic plant of Borneo. The polyphenol content of M. casturi leaves has antioxidant properties, including gallic acid and methyl gallic. The antioxidant potential of gallic acid and methyl gallate of M. casturi leaves is thought to inhibit the growth of breast cancer cells. Human Epidermal Growth Factor 2 (HER-2) protein is an important factor in the epidermal growth of breast cells and is also a target for breast cancer treatment. This study aims to investigate the potential of gallic acid and methyl gallic compounds from M. casturi as inhibitors of HER-2 protein. Molecular docking parameters in Gibbs free energy, interaction of gallic acid and methyl gallic ligands with HER-2 protein residues
Antioxidant Test and Flavonoids Determination of Tuber Pakis Kinca (Nephrolepis cordifolia (L) C. Presl) Samsul Hadi; Arif Subekti; Amalia Khairunnisa
Indonesian Journal of Chemical Analysis (IJCA) Vol. 6 No. 1 (2023): Indonesian Journal of Chemical Analysis
Publisher : Universitas Islam Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20885/ijca.vol6.iss1.art1

Abstract

One of the things that causes cell damage in the body is the formation of unpaired electrons, also known as free radicals, which can cause oxidative stress. Excessive oxidative stress is not maintained by the body's natural antioxidants, so natural antioxidants are needed from outside. One of the plants suspected of having antioxidant abilities is Pakis kinca. So, the aim of this study was to determine the levels of flavonoids and antioxidant abilities in the tuber of N. cordifoli. Therefore, the method used to determine flavonoids is by reacting with AlCl3 and reading by UV-vis spectrophotometry, while reacting antioxidants with DPPH using spectrophotometry. The results of the flavonoid test were 3.119 ± 0.09 w/w equivalent to quercetin, from this equation the flavonoid content in the range of the equation was obtained. The results of the antioxidant test obtained the mean value of antioxidants was 93.898 ± 0.923. The conclusion obtained is that the antioxidant IC50 value of tuber extract N. cordifolia is a strong category with a total flavonoid content of 3.119 ± 0.091 w/w equivalent to quercetin.
- Identifikasi daun Ceguk dengan Spektroskopi UV-VIS Samsul Hadi
Jurnal Kimia Fullerene Vol 7 No 2 (2022): Fullerene Journal of Chemistry
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37033/fjc.v7i2.451

Abstract

Ceguk have two different varieties seen in the shape of the flowers, some are elongated and rounded. Based on this varietal difference, it is likely that it will affect the activity produced by the leaves. The purpose of this study was to identify the typical spectra of these two varieties using a finger print approach using UV-vis combined multivariate spectroscopy. The results of the PLSR Combretum indicum Varr analysis. B against Combretum indicum Varr. M at a wavelength of 248.53-221.00 nm, the second derivative obtained an RMSEC value of 1.65; R2 0.9988; RMSEP 5.05; R2 0.9925, and RMSECV 8; R2 0.9804. While at a wavelength of 296.09-261.64 nm, the normal model obtained an RMSEC value of 0.647; R2 0.9998; RMSEP 0.868; R2 0.9997, and RMSECV 4.71; R2 0.9923. So it can be concluded that UV-VIS spectroscopic fingerprint analysis with a combination of chemometrics can distinguish Combretum indicum Varr leaves. B against the occurrence of leaf adulteration of Combretum indicum Varr. M in the normal model with a wavelength of 296.09-261.64 nm.
Inovasi Produk dan Pendampingan Ijin Produk pada Kelompok Masyarakat Guna Meningkatkan Perekonomian Kunti Nastiti; Setia Budi; Melviani Melviani; Samsul Hadi
Indonesia Berdaya Vol 4, No 3 (2023)
Publisher : UKInstitute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47679/ib.2023502

Abstract

The Covid-19 pandemic has caused small businesses throughout Indonesia to experience an economic decline. People are psychologically afraid of contracting the virus, so they limit going out of the house. Indirectly causing a decrease in income because people limit spending and consumption patterns. This community service aims to help community small businesses located in Banjarbaru, South Kalimantan in managing their business. The survey results stated that there was a decline in sales, especially in the food, salon, cosmetic product, stalls and other clothing sales. The obstacle faced by this business unit is the absence of product innovation that adapts to pandemic conditions. Another thing in marketing products is that many people do not know about strategies regarding promotion, branding, product advertising, product legalization and other strategies. The forms and methods that are the solution to this activity are product innovation related to herbal products and providing knowledge about the legality of products, both herbal products and food products that have been produced so that they are expected to be widely marketed. Apart from that, providing knowledge about product marketing strategies through online promotion and branding as well as providing knowledge on how to have a good managerial system. Herbal product innovation has increased during the Covid-19 pandemic because several herbs are believed to help the body's resistance to disease.
Co-Authors Ag. Yuswanto Ag. Yuswanto Agustina, Ni Kadek Ayu Amalia Khairunnisa Amalia Khairunnisa Amalia Khairunnisa Ana Maulana Ana Muliana Arif Subekti Arif Subekti Bawaihi Bawaihi Buih, Putri Helena Junjung Deni Setiawan Desiya Ramayanti Azhara Desiya Ramayanti Azhara Diah Aulia Rosanti Diah Aulia Rosanti Dian Ekowati Dian Ekowati Dian Kusuma Putra Eko Suhartono Elvina Astria Agustin Endang Lukitaningsih Fadlilaturrahmah Fadlilaturrahmah, Fadlilaturrahmah Fanli Yudi Anwar Farida Istiqamah Fathul Jannah, Fathul Febriani, Noor Rahmi Fery Ramadhan Gunawan Gunawan Gunawan Gunawan Indriani, Erika Irawati Irawati Izma, Hayatun Khadijah, Nor Khoerul Anwar Kunti Nastiti Kunti Nastiti Kunti Nastiti Kunti Nastiti Kunti Nastiti Kunti Pelita Kuranji Blok Nastiti Liling Triyasmono Liling Triyasmono Liling tryasmono Linda Wahyuni Ludowika Adonita Tarong Lutfi Chabib, Lutfi Malahayati, Siti Melviani Melviani Mirza Maulana Ahmad Muhammad Firman Akbar Muhammad Ikhwan Rizki Muhammad Luthfi Firdaus Muhammad Syihab Setia Budi Nashrul Wathan Nastiti, Kunti Noer Komari Normaidah, Normaidah Normilawati Noval Noval Noval Noval Noval Noval Nugi Maulana Nur Mahdi Nurul Mardiati Okta Muthia Sari Pertiwi Awilda Rafiah Anggianingrum Rahmadina, Nazwa Rahmawati, Nanda Hesti Ramadani, Rizka aulia Ratnapuri, Prima Happy Rezka Fajar Ramadhan Rinda, Ririn Purnama Risye Hendry Rizki Swastika Puri ROBIATUL ADAWIYAH RR. Endang Lukitaningsih Rufi'i Salma Salma Sefa Nur Khalifah Setia Budi Sheila Nurrahmah Shindi, Muhammad Riki Sintya Oktaviani Sri Oktaviana Sari Sri Oktaviana Sari Subagus Wahyuono Subagus Wahyuono Suci Kamelia Sukmana, M. Laily Qadry Tazkia Safarina Ulfah, Nahdiati Umi Nur Hapifah Umi Nur Hapifah Uripto Trisno Santoso Viogenta, Pratika Wijaya, Eka Setya Yusri Yusri Yusri Yusri