Claim Missing Document
Check
Articles

Desain Biosensor Berbasis Nanopartikel Perak untuk Deteksi Protein Hemoglobin pada Babi secara In Silico Latifa Hana Silfadani; Taufik Muhammad Fakih; Hilda Aprilia Wisnuwardhani
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (480.693 KB) | DOI: 10.29313/bcsp.v2i2.4697

Abstract

Abstract. A product containing pork cannot be consumed by Muslims. A surface plasmon resonance (SPR) biosensor using a silver nanoparticle base was developed to analyze the hemoglobin content of porcine in silico using the molecular docking method. The variation of the thin layer system on the SPR by adding a layer of silver nanoparticles can increase the selectivity and sensitivity of the SPR biosensor. The surface of silver nanoparticles has a high sensitivity plasmon resonance spectra, so it can be used as a detector. The smaller the gibbs free bond energy (∆G), the stronger the bond stability between silver nanoparticles (AgNPs) with porcine and bovine hemoglobin protein receptors. Silver nanoparticles with an amount of 10 Ag had the lowest Gibbs free binding energy values for the two receptor proteins, -2.04 kcal/mol in porcine hemoglobin protein and -2.18 Kcal/mol in bovine. In order to function as sensors in SPR biosensors, silver nanoparticles must be more sensitive to porcine hemoglobin protein than bovine hemoglobin (∆G porcine<∆G bovine). The results of silver nanoparticles (AgNPs) which have the largest difference in Gibbs free bond energy (∆G) with porcine ∆G<∆G bovine are 3 silver nanoparticles with a difference of 0.07 So 3 Ag silver is more sensitive to pig hemoglobin receptors which can later be detected. applied as a sensor in biosensor applications. Abstrak. Suatu produk yang mengandung babi tidak dapat dikonsumsi umat muslim. Biosensor surface plasmon resonance (SPR) dengan menggunakan basis nanopartikel perak dikembangkan untuk menganalisis kandungan hemoglobin babi yang dilakukan secara in silico menggunakan metode molecular docking. Variasi sistem lapisan tipis pada SPR dengan menambahkan lapisan nanopartikel perak dapat meningkatkan selektivitas dan sensivitas biosensor SPR. Permukaan nanopartikel perak memiliki efek spektra plasmon resonansi dengan sensitivitas tinggi, sehingga bisa digunakan sebagai detektor. Semakin kecil energi ikatan bebas gibbs (∆G) maka stabilitas ikatan antara nanopartikel perak (AgNPs) dengan reseptor protein hemoglobin babi dan sapi akan semakin kuat. Nanopartikel perak dengan jumlah 10 Ag memiliki nilai energi ikatan bebas Gibbs paling rendah pada kedua protein reseptor yaitu sebesar -2,04 kcal/mol pada protein hemoglobin babi dan -2,18 Kcal/mol pada sapi. Agar dapat berfungsi sebagai sensor dalam biosensor SPR, Nanopartikel perak harus lebih sensitif dengan protein hemoglobin babi dibanding dengan hemoglobin sapi (∆G babi<∆G sapi). Hasil nanopartikel perak (AgNPs) yang memiliki selisih energi ikatan bebas Gibbs (∆G) paling besar dengan ∆G babi<∆G sapi yaitu pada 3 nanopartikel perak dengan selisih 0,07 Sehingga perak 3 Ag lebih sensitif terhadap reseptor hemoglobin babi yang nantinya dapat diaplikasikan sebagai sensor dalam aplikasi biosensor.
Uji Aktivitas In Silico Senyawa Turunan Flavonoid sebagai Antiviral (HIV) Arini Nabila Putri; Taufik Muhammad Fakih; Dina Mulyanti
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (788.294 KB) | DOI: 10.29313/bcsp.v2i2.4699

Abstract

Abstract. Human Immunodeficiency Virus (HIV) type 1 is an HIV virus that most often attacks the human body's immunity and is easy to mutate. A total of 37.9 million people according to the World Health Organization (WHO) were infected in 2018 with high levels of mortility and morbidity. Drug search research continues to be carried out, one of which is research on HIV protease which is an enzyme that has a role in the process of cutting polyprotein chains on the gag and gag-pol sides as the formation of new viroin. Myricetin is a flavonoid compound from the chives plant (Allium tuberosum). Compound design research has been carried out, molecular tethering using Autodock software obtained the best bond-free energy value in myricetin compounds of -8.10 kcal / mol compared to curcumin compounds of -9.60 kcal / mol, previously validated to calibrate the docking method, rmsd value obtained was 1.14Å, analysis of docking results using Biovia Discovery Studio Visualizer 2021, toxicity test using the preADME website in silico against Flavonoid derivative compounds, based on toxicity tests obtained the results of myricetin with mutagenicity against ames test, are negative against the carcinogenicity of mice or rats and are toxic to algae plants. Abstrak. Human Immunodefisiensi Virus (HIV) tipe 1 adalah virus HIV yang paling sering menyerang kekebalan tubuh manusia dan mudah untuk bermutasi. Sebanyak 37,9 juta orang menurut World Health Organization (WHO) terinfeksi pada tahun 2018 dengan tingkat mortilitas dan morbiditas yang tinggi. Penelitian pencarian obat terus dilakukan salah satunya penelitian terhadap protease HIV yang merupakan enzim yang memiliki peran pada proses pemotongan rantai poliprotein pada sisi gag dan gag-pol sebagai pembentukan viroin yang baru. Myricetin merupakan senyawa flavonoid dari tumbuhan kucai (Allium tuberosum). Telah dilakukan penelitian desain senyawa, penambatan molekular menggunakan software Autodock diperoleh nilai energi bebas ikatan terbaik pada senyawa myricetin sebesar -8,10 kcal/mol dibandingkan dengan senyawa kurkumin sebesar -9,60 kcal/mol, sebelumnya dilakukan validasi untuk mengkalibrasi metode docking, nilai RMSD yang diperoleh sebesar 1,14Å, analisis hasil docking menggunakan Biovia Discovery Studio Visualizer 2021, uji toksisitas menggunakan website preADME secara in silico terhadap senyawa turunan flavonoid, berdasarkan uji toksisitas diperoleh hasil myricetin bersitas mutagen terhadap ames test, bersifat negatif terhadap karsinogenitas mencit atau tikus dan bersifat toksik terhadap tumbuhan algae.
Studi Literatur: Aktivitas Antioksidan Senyawa Bioaktif Kopi (Coffea sp.) Sellygani Budi Vaelani; Taufik Muhammad Fakih; Gita Cahya Eka Darma
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (397.857 KB) | DOI: 10.29313/bcsp.v2i2.4700

Abstract

Abstract. Antioxidants is substances can help protect the body from free radical attacks and radical compounds that can inhibit or slow down damage due to the oxidation process. One of the natural ingredients that has a lot of antioxidant content that is quite high is coffee. The antioxidant content has been widely used for cosmetic preparations with the purpose of providing local protection to the skin. This study purpose to determine what antioxidant bioactive compounds are contained in coffee using what antioxidant test method is used and what dosage forms can be made from coffee (Cofea sp.). The Systematic Literature Review (SLR) method is used with data used in the form of national journals obtained from the screening results of 15 journals from the google schoolar portal. From the results of research, antioxidant compounds known in coffee are flavonoids, tannins, saponins, and steroids, alkaloids, triterpenoids, steroids, phenols, polyphenols and phenolic compounds, namely chlorogenic acid with the antioxidant test method used is the DPPH method (2,2-diphenyl-1- picrilhydrazyl). Obtained some dosage forms of this review are gel body scrub, cream, hand soap, foot cleansing spray, air freshener, therapeutic aroma, lipbalm and peel off gel mask. Keywords: Antioxidants, Coffee, Compounds, Dosage Abstrak. Antioksidan merupakan salah satu substansi yang dapat membantu melindungi tubuh dari serangan radikal bebas maupun senyawa radikal yang dapat menghambat atau perlambatan kerusakan akibat proses oksidasi. Salah satu bahan alam yang memiliki banyak kandungan antioksidan yang cukup tinggi yaitu kopi. Kandungan antioksidan telah banyak digunakan untuk sediaan kosmetik dengan tujuan memberikan perlindungan lokal pada kulit. Penelitian ini bertujuan untuk mengetahui senyawa bioaktif antioksidan apakah yang terdapat dalam kopi dengan menggunakan metode uji antioksidan apa yang digunakan dan bentuk sediaan apa saja yang dapat dibuat dari kopi (Cofea sp.). Digunakan metode Systematic Literature Review (SLR) dengan data yang digunakan berupa jurnal nasional yang diperoleh dari hasil screening sejumlah 15 jurnal dari portal google schoolar. Dari hasil penelitian senyawa antioksidan yang diketahui pada kopi adalah flavonoid, tannin, saponin, steroida, alkaloid, triterpenoid, fenol, polifenol dan senyawa fenolik yaitu asam klorogenat dengan metode uji antioksidan yang digunakan adalah metode DPPH (2,2-difenil-1- pikrilhidrazil). Diperoleh juga beberapa bentuk sediaan berupa scrub, gel scrub badan, krim, sabun cuci tangan, foot sanitizer spray, pengharum ruangan, aroma terapi, lipbalm dan masker gel peel off.
Uji In-Silico Aktivitas Antikanker Kolorektal Senyawa Organosulfur Bawang Putih (Allium sativum L.) terhadap Protein Target COX-2 Muhammad Fillah; Diar Herawati; Taufik Muhammad Fakih
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1157.508 KB) | DOI: 10.29313/bcsp.v2i2.4703

Abstract

Abstract. Colorectal cancer is cancer that grows in the colon (large intestine) or in the lower colon that is connected to the rectum. Colorectal anticancer compounds are found in the garlic plant (Allium sativum L.) which contains organosulfur compounds. The COX-2 receptor is a receptor that plays an important role in anticancer activity. The purposa of this study was to prove based on in-silico study whether the organosulfur compounds cloud be used as a colorectal anticancer candidate. The identification of the physicochemical properties of organosulfur compounds was carried out using ChemBioDraw 2D software. The organosulfur compound was optimized using Gauss View software version 5.0.8 and Gaussian version 09. Then proceed to the docking simulation to COX-2 receptor which has been separated from its natural ligand validation of molecular docking system was carried out using MGL Tools version 1.5.6 software which has been equipped with Autodock Tools version 4.2. The result showed that S-Allylmercaptoglutathione compound had a better affinity than the other six organosulfur compounds to COX-2. The S-Allylmercaptoglutathione compound obtained a bond free energi value of -7,53 kcal/mol and the value of the inhibition constant (Ki) was 3,01 µM. According toxicity test results, S-Allylmercaptoglutathione has a high potential for toxicity, with a low risk of exposure and does not cause carcinogenicity or mutagenicity. The S-Allylmercaptoglutathione compound is not better than its natural ligand S58. Where the natural ligand S58 has a free energy value of -10,73 kcal/mol and an inhibition constant (Ki) of 0,0137 µM. It can be concluded that the S-Allylmercaptoglutathione test compound cannot be used as a colorectal anticancer candidate, because it does not have anticancer activity. Abstrak. Kanker Kolorektal merupakan kanker yang pertumbuhannya terjadi di kolon (usus besar) atau di usus besar bagian bawah yang terhubung ke rektum (anus). Senyawa antikanker kolorektal ditemukan dalam tanaman bawang putih (Allium sativum L.) yang mengandung senyawa organosulfur. Reseptor COX-2 adalah reseptor yang berperan penting dalam antikanker kolorektal. Tujuan dilakukannya penelitian ini untuk membuktikan secara in-silico ­senyawa organosulfur dapat dijadikan sebagai kandidat antikanker kolorektal. Pada penelitian ini dilakukan identifikasi sifat fisikokimia pada senyawa organosulfur menggunakan software ChemBioDraw 2D. Senyawa organosulfur dilakukan optimasi menggunakan software Gauss View versi 5.0.8 dan Gaussian versi 09. Kemudian dilanjutkan ke tahap simulasi docking senyawa uji organosulfur terhadap reseptor COX-2 yang telah dipisahkan dengan ligan alaminya dan telah di validasi menggunakan software MGL Tools versi 1.5.6 yang telah dilengkapi dengan Autodock Tools versi 4.2. Berdasarkan hasil penelitian, hasil docking senyawa S-Allylmercaptoglutathione memiliki afinitas lebih baik dibandingkan dengan keenam senyawa organosulfur lainnya. Senyawa S-Allylmercaptoglutathione diperoleh nilai energi bebas ikatan yaitu -7,53 kcal/mol dan nilai konstanta inhibisi (Ki) 3,01 µM. Hasil prediksi toksisitas S-Allylmercaptoglutathione memiliki potensi toksisitas yang tinggi, dengan risiko paparan yang rendah serta tidak menyebabkan karsinogenik atau mutagenisitas. Senyawa S-Allylmercaptoglutathione tidak lebih baik dibandingkan ligan alaminya. Dimana ligan Alami S58 memiliki nilai energi bebas ikatan yaitu -10,73 kcal/mol dan nilai konstanta inhibisi (Ki) 0,0137 µM. Maka dapat disimpulkan bahwa senyawa uji S-Allylmercaptoglutathione tidak dapat dijadikan sebagai kandidat antikanker kolorektal, karena tidak memiliki aktivitas antikanker.
Uji Aktivitas dan Toksisitas Secara In Silico Senyawa Turunan Flavonoid pada Jeruk Bali (Citrus Maxima) sebagai Antimelanogenesis Alivia Dyanira; Taufik Muhammad Fakih; Hilda Aprilia Wisnuwardhani
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (776.244 KB) | DOI: 10.29313/bcsp.v2i2.4705

Abstract

Abstract. Melanogenesis is the production of the pigment melanin, which is produced by cells called melanocytes. The enzyme that plays an important role in the melanin synthesis pathway is tyrosinase. Flavonoid compounds can prevent the process of melanogenesis because it contains antioxidants. Identification of flavonoids showed that grapefruit (Ctrus maxima) contains flavonoid compounds acacetin and tangeretin, rutin, eriocitrin, hespiridine, and naringenin. The purpose of this study was to test the activity of flavonoid derived compounds in grapefruit (Citrus maxima) as an antimelanogenesis candidate with tyrosinase receptors in silico. In this research, identification of physicochemical properties of flavonoid derivative test compounds using ChemBioDraw 2D software was carried out. The test compounds for flavonoid derivatives were optimized using the Gauss View software version 5.0.8 and Gaussian version 09. Then proceed to the docking simulation stage for the flavonoid derivative test compounds to the tyrosinase receptor which has been separated from its natural ligand and has been validated using the MGL Tools 1.5.6 software. has been equipped with Autodock Tools version 4.2. Based on the research results, the docking result of acacetin compound has a good affinity value compared to other compounds, namely -5.96 kcal/mol. Predicted results of acacetin toxicity have a high toxicity potential, are within the exposure threshold with a low risk of exposure and cannot cause carcinogenicity or mutagenicity. Abstrak. Melanogenesis merupakan produksi dari pigmen melanin yang diproduksi oleh sel yang disebut dengan melanosit. Enzim yang berperan penting pada jalur sintesis melanin adalah tyrosinase. Senyawa flavonoid dapat mencegah terjadinya proses melanogenesis karena terkandung antioksidan didalamnya. Identifikasi flavonoid menunjukkan dalam Jeruk bali (Citrus maxima) mengandung senyawa flavonoid acacetin dan tangeretin, rutin, eriocitrin, hespiridin, dan naringenin. Tujuan dilakukannya penelitian ini untuk menguji aktivitas senyawa turunan flavonoid pada Jeruk bali (Citrus maxima) sebagai kandidat antimelanogenesis dengan reseptor tyrosinase seacara in silico. Pada penelitian ini dilakukan identifikasi sifat fisikokimia pada senyawa uji turunan flavonoid menggunakan software ChemBioDraw 2D. Senyawa uji turunan flavonoid dilakukan optimasi menggunakan software Gauss View versi 5.0.8 dan Gaussian versi 09. Kemudian dilanjutkan ke tahap simulasi docking senyawa uji turunan flavonoid terhadap reseptor tyrosinase yang telah dipisahkan dengan ligan alaminya dan telah di validasi menggunakan software MGL Tools 1.5.6 yang telah dilengkapi dengan Autodock Tools versi 4.2. Berdasarkan hasil penelitan, hasil docking dar senyawa acacetin memiliki nilai afinitas yang baik dibandingkan dengan senyawa yang lain yaitu -5,96kcal/mol. Hasil prediksi toksisitas acacetin memiliki potensi toksisitas yang tinggi, berada dalam ambang batas paparan dengan resiko paparan yang masih rendah serta tidak dapat menyebabkan karsinogenik atau mutagenisitas.
Reaktivitas Reseptor Nmda (N-Metil-D-Aspartat) Ensefalitis terhadap Glisin-Prolin, Glisin- Prolin-Hidroksiprolin secara Uji In Silico Siti Hardianti; Taufik Muhammad Fakih; Diar Herawati
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (452.368 KB) | DOI: 10.29313/bcsp.v2i2.4709

Abstract

Abstract. Capsule shells are generally made of gelatin from pigs or cows (Lestari et al., 2021). Gelatin is a protein derivative from collagen fibers found in skin, bone, and cartilage (Arima & Fithriyah, 2015). Gelatin contains the amino acids glycine, hydroxyproline, and proline which can affect gel formation. Glycine contains 26%, hydroxyproline 14%, and proline contains 16% (Febriana et al., 2021). According to research conducted by (Maryawan et al., 2020) in conducting safety studies between hydroxyproline compounds against NMDA receptors tested in silico, the affinity for the receptor is very strong so it has a low safety risk. So that from this study used peptide bonds derived from gelatin, namely glycine-proline, and glycine-proline-hydroxyproline (Santoso et al., 2015). This study was conducted to observe the interaction between glycine-proline, glycine-proline-hydroxyproline compounds on the NMDA receptor (N- methyl-D-aspartate) using the in silico test method, and to investigate the model of the relationship between glycine-proline-hydroxyproline and NMDA receptors. (N-methyl- D-aspartate) on the binding site.This research was carried out in several stages, namely modeling the structure of the test compound, searching for the structure of the NMDA receptor, simulating the docking between the receptor and the test compound, and analyzing the results of the docking. Based on the results of the study, it was shown that glycine-proline-hydroxyproline had a low safety risk against the binding free energy NMDA receptor (∆G) which was -117.542 kJ/mol. Abstrak. Cangkang kapsul pada umumnya terbuat dari bahan gelatin yang berasal dari babi atau pun sapi (Lestari et al., 2021). Gelatin adalah derivat protein dari serat kolagen yang terdapat pada kulit, tulang, dan tulang rawan (Arima & Fithriyah, 2015). Didalam gelatin terdapat asam amino glisin, hidrorksiprolin, dan prolin yang dapat mempengaruhi terbentuknya gel. Glisin mengandung 26%, hidroksiprolin 14%, dan prolin mengandung 16% (Febriana et al., 2021). Menurut penelitian yang telah dilakukan oleh (Maryawan et al., 2020) dalam melakukan studi keamanan antara senyawa hidroksiprolin terhadap reseptor NMDA yang diujikan secara in silico, afinitas terhadap reseptor sangat kuat sehingga memiliki resiko keamanan yang rendah. Sehingga dari penelitian ini digunakan ikatan peptida yang berasal dari gelatin yakni glisin-prolin, dan glisin-prolin- hidroksiprolin (Santoso et al., 2015). Penelitian ini dilakukan untuk mengamati adanya interaksi antara senyawa glisin-prolin, glisin-prolin-hidroksiprolin terhadap reseptor NMDA (N-metil-D- aspartat) dengan menggunakan metode uji in silico, serta menyelidiki model hubungan antara glisin-prolin-hidroksiprolin dengan reseptor NMDA (N-metil-D- aspartat) pada sisi pengikatan. Penelitian ini dilakukan dilakukan beberapa tahap yaitu pemodelan struktur senyawa uji, pencarian struktur NMDA, simulasi docking antara reseptor dan senyawa uji, dan analisis hasil docking. Berdasarkan hasil penelitian, menunjukkan bahwa glisin-prolin- hidroksiprolin memiliki resiko keamanan yang rendah terhadap reseptor NMDA energi ikatan (∆G) yaitu -117,542 kj/mol.
Pengembangan Obat Baru dari Senyawa Curcumin, Genistein, Lactacystin, Phloretin, Quercetin sebagai Inhibitor RNA Polimerase MTB dengan Menggunakan Metode In Silico Akmal Syihabuddin; Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan
Bandung Conference Series: Pharmacy Vol. 2 No. 2 (2022): Bandung Conference Series: Pharmacy
Publisher : UNISBA Press

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (429.02 KB) | DOI: 10.29313/bcsp.v2i2.4735

Abstract

Abstract. The discovery and development of new drugs begins with detecting the target of action of the drug which is then continued with the discovery of compounds and prediction of performance based on their chemical structure using the in silico method. The purpose of this study was to determine whether curcumin, genistein, lactacystin, phloretin, and quercetin compounds have the potential to be developed into medicinal compounds that have activity as RNA polymerase inhibitors. The research method used was to determine the physicochemical properties of the test compounds, then predict pharmacological activity using the way2drug.com server, then prepare macromolecular structures using the BIOVIA Discovery Study Visualizer 2021 software. Then validate and simulate the docking method using MGL Tools 1.5.7 software. which is equipped with Autodock Tools 4.4. Then proceed with toxicity prediction using the PreAdmet server. The results obtained from this study are that the compound quercetin has the potential to be developed into a drug as an RNA polymerase inhibitor with a bond free energy value (ΔG) of -5.62 kcal/mol and an inhibition constant (Ki) of 76.40 M. This value is still higher than the natural ligand (rifampicin) with the value of free bond energy (ΔG) in the natural ligand of -10.33 kcal/mol and the value of the inhibition constant (Ki) of 26.63 nM. However, this value is good enough to bind to the receptor and this value has a fairly good inhibitory activity as an MTB RNA Polymerase inhibitor. Abstrak. Penemuan dan pengembangan obat baru dimulai dengan mendeteksi target kerja dari obat yang kemudian dialnjutkan dengan penemuan senyawa dan prediksi kinerja berdasarkan struktur kimianya menggunakan metode in silico. Tujuan dari penelitian ini yaitu untuk mengetahui apakah senyawa curcumin, genistein, lactacystin, phloretin, dan quercetin berpotensi untuk dikembangkan menjadi senyawa obat yang memliki aktivitas sebagai inhibitor RNA Polimerase. Metode penelitian yang dilakukan yaitu penentuan sifat fisikokimia senyawa uji, kemudian prediksi aktivitas farmakologi menggunakan server way2drug.com, selanjutnya dilakukan preparasi struktur makromolekul menggunakan perangkat lunak BIOVIA Discovery Studi Visualizer 2021. Kemudian dilakukan validasi dan simulasi metode docking menggunakan perangkat lunak MGL Tools 1.5.7 yang dilengkapi dengan Autodock Tools 4.4. Kemudian dilanjutkan dengan prediksi toksisitas menggunakan server PreAdmet. Hasil yang diperoleh dari penelitian ini yaitu senyawa quercetin memiliki potensi untuk dikembangkan menjadi obat sebagai inhibitor RNA Polimerase dengan nilai energi bebas ikatan (ΔG) sebesar -5.62 kcal/mol dan nilai konstanta inhibisi (Ki) sebesar 76.40 µM. Nilai tersebut masih lebih tinggi dibandingkan dengan ligan alami (rifampisin) dengan nilai energi bebas ikatan (ΔG) pada ligan alami sebesar -10.33 kcal/mol dan nilai konstanta inhibisi (Ki) sebesar 26,63 nM. Tetapi nilai tersebut sudah cukup baik untuk berikatan dengan reseptor dan nilai tersebut memiliki aktivitas penghambatan yang cukup baik sebagai inhibitor RNA Polimerase MTB.
Comparative analysis of the stability features of human alpha-defensins as candidates for the future COVID-19 therapy through molecular dynamics Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Arfan Arfan
Pharmaciana Vol 12, No 3 (2022): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (425.827 KB) | DOI: 10.12928/pharmaciana.v12i3.22616

Abstract

Coronavirus 19 (COVID-19) is still a global health issue to date, SARS-CoV-2 is a novel coronavirus that is responsible for this sickness. The receptor-binding domain of the SARS-CoV-2 virus associates with angiotensin-converting enzyme 2 (ACE-2) and allows the virus to enter human cells. Natural peptides such alpha-defensin are thought to attach to the SARS-CoV-2 RBD and prohibit it from engaging with ACE-2. Molecular dynamics simulations using a computational approach are utilized to understand the stability of six alpha-defensin macromolecules using the Gromacs 2016 software. The trajectories formed are then analyzed using VMD 1.9.4 and BIOVIA Discovery Studio 2020 software. Finally, the free energy is estimated using the MM/PBSA method. The alpha-defensins 2 macromolecules were found to have the best stability based on numerous study results (trajectory visualization, RMSD, RMSF, and free energy calculations). As a result, these macromolecules could be used to build new antiviral treatments for COVID-19 infectious disease candidates.
Exploration of the flavonoid content of Ziziphus spina-christi leaf extract and antioxidant activity assay through in vitro and in silico methods Fitrianti Darusman; Taufik Muhammad Fakih; Dwi Syah Fitra Ramadhan; Hilda Aprilia Wisnuwardhani; Teti Sofia Yanti
Pharmaciana Vol 13, No 1 (2023): Pharmaciana
Publisher : Universitas Ahmad Dahlan

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (556.966 KB) | DOI: 10.12928/pharmaciana.v13i1.24016

Abstract

One plant that has the potential as an antioxidant is Ziziphus spina-christi (ZSC) because it contains phenolics and flavonoids. This study aims to determine the flavonoid content both qualitatively and quantitatively and to test the antioxidant activity of ZSC leaf extract using in vitro and in silico attenuation methods. Determination of the total flavonoid content of ZSC leaf extract using a comparison of quercetin. In vitro the antioxidant activity assay of ZSC leaf extract was carried out by measuring the reducing activity of ZSC leaf extract against the radical DPPH using ascorbic acid as comparison, while the in silico method using QSAR and pharmacophore modeling techniques. The results showed that the total flavonoid content obtained from ZSC leaf extract was 0.2515 ± 0.0013 mg QE/g D.W with an IC50 of 58.9296 ppm. This value indicates that ZSC leaf extract has potential as a strong antioxidant. Furthermore, from the in silico method using pharmacophore modeling and QSAR techniques, 8 hit compounds were obtained from the content of ZSC with IC50 QSAR ranging from 6.57 to 0.0004, which was thought to be the metabolite that had the most role in its antioxidant activity. This value indicates that ZSC leaf extract has potential as a very strong antioxidant. It also proves that QSAR and pharmacophore modeling techniques can be used as confirmatory tests for in vitro results in determining the antioxidant activity of natural materials.
Pelatihan Diversifikasi Produk Madu di Kecamatan Pasirjambu, Kabupaten Bandung, Jawa Barat melalui Kolaborasi Luar Negeri dengan Thammasat University Taufik Muhammad Fakih; Lina Jamilah; Liza Dzulhijjah; Adryan Fristiohady; Aulia Fikri Hidayat; Budi Prabowo Soewondo; Gita Cahya Eka Darma; Rizki Nuzulfikri; Faqih Radina; Robby Prayitno
Poltekita: Jurnal Pengabdian Masyarakat Vol. 4 No. 2 (2023): April-Juni
Publisher : Pusat Penelitian & Pengabdian Masyarakat Poltekkes Kemenkes Palu

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (537.064 KB) | DOI: 10.33860/pjpm.v4i2.1748

Abstract

The main problems found in the Malaya Farmer Group in Pasirjambu District which are partners, are problems related to honey bee harvesting techniques and the diversification of honey products. Some of the methods applied to achieve the target are coordination with domestic and foreign partners through outreach, discussions, identification of problem solutions, selection of alternative solutions to problems, and formulation of implementation stages. Then the implementation of training on honey bee harvesting techniques, the practice of making diversified honey products, and marketing the results of diversified honey products. The achievement of this community service has obtained data in the form of honey product diversification including Honey Combination Soap, Honey Ginger Candy, and Honey Milk Coffee Drinks with the MAZALI brand. In addition, through this community service, training on honey bee harvesting techniques was successfully carried out with the title Trigona Honey Bee Cultivation Training with the theme of Harvesting Techniques, Quality Assessment, and Diversification of Trigona Honey Products. It is hoped that this community service can provide benefits for the development of science, especially in order to help improve skills in honey bee harvesting techniques and develop various diversifications of honey products so that they can become superior in Pasirjambu District.
Co-Authors Abdillah, Nur Islami Vikri Adryan Fristiohady Akbar, Nabila Hadiah Akmal Syihabuddin Aksar, M Aldhiya Nurshafa Huwaida Alivia Dyanira Andita, Felia Rahma Cahya Anggi Arumsari Annisa Fitriyani Suryana Annisa Meilani Annisa Meilani Annisa Rahmah Furqaani Arfan Arfan Arfan, Aulia Rhamadani Arfan, Aulia Rhamdani Arini Nabila Putri Asikin, Asyhari Aulia Fikri Hidayat Az-zahra, Dhea Khairunnisa Bambang Tri Laksono Bertha Rusdi Budi P Soewondo Budi Prabowo Soewondo Budiana, Wempi Buih, Putri Helena Junjung Cahyani, Aura Lintang Ayu Candra Hermawan Choesrina, Ratu Dewi, Mentari Luthfika Dewi, Mentari Luthfika Diar Herawati Dina Mulyanti Dina Mulyanti Dita Anggun Novianta Dwi Syah Fitra Ramadhan Eky Syahroni Engrid Juni Astuti Fajarwati, Kania Faqih Radina Farendina Suarantika Fetri Lestari Fetri Lestari Firda Aulia Jannati Firliani Dwiputri Fitrianti Darusman Galand Febrial Akbar Ghifari, Tegar Asandra Gina Fuji Nurfarida Gita Cahya Eka Darma Hakim, Supartina Hamdan Ramdani Hilal Faturohman Hilda Aprilia, Hilda Inayah, Aghnia Fuadatul Indraswari, Ni Luh Astri Ingka Mardiana Putri Ismet Muchtar Nur Izdihar Arief, Imtiyaz Jilan Salsabila Auliya Putri Julia Hartati Khoirunnisa Muslimawati Latifa Hana Silfadani Lina Jamilah Liza Dzulhijjah Mardiana, Neng Dian Marillia, Viola Meike Rachmawati Mentari Luthfika Dewi Mentari Luthfika Dewi Meta Maulida Damayanti Muchlisin, M. Artabah Muhamad Akbar Dirgana Muhammad Fillah Nabila Shofura Mahardhika Nadhifah Mauludia Rinaldie Nandhy Agustian Luca Pratama Nawang Wulan Rachmatillah Prastowo Putri Nazhipah Isnani Nisa Neli Aunillah Nisa Qotrunida Afwa Nurfadillah Hazar Nurisyah, Nurisyah Nuzulfikri, Rizki Prayitno, Robby Putra, Aditya Maulana Perdana Putri, Nawang Wulan Rachmatillah Prastowo R. Rusli Radina, Faqih Rasjava, Achmad Ramadhanna’il Ratu Choesrina Resty Imfyani Sofyan Ridwan Wijaya RISA NURRAHWANI Rizki Nuzulfikri rizkita, aden Rizkita, Aden Dhana Robby Prayitno Robby Prayitno Rohayah Rohayah Rusli Rusli Salsabilla Wijaya Sani Ega Priani Sari, Ajeng Kartika Sellygani Budi Vaelani Siddiq, Tita Barriah Sintia Ayu Dewi Sintya Suherlan Siti Ainun Rohaniah Siti Hardianti Siti Nurlita Permana Sonia alivia putri Syahrizal Nazala Syahroni, Eky Sylvie Kurniasih Tanisa Maghfira Syarza Tegar Achsendo Yuniarta Tegar Achsendo Yuniarta Tegar Achsendo Yuniarta Teti Sofia Yanti Thias Najminuri Trully Nouval Larasati Vinda Maharani Patricia Viola Marillia Vivi Amalia Dwi Pratiwi Wardani, Dyah Ayu Pramoda Wijaya, Salsabilla Wisesa, Sulthan Waliid Anggara Wisnuwardhani, Hilda Aprilia