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"Inflamasi merupakan respon fisiologis terhadap cedera jaringan dan infeksi. Inflamasi dapat ditangani dengan sejumlah obat seperti obat anti-inflamasi nonsteroida inhibitor selektif COX-2. Benzimidazol merupakan senyawa penuntun yang memiliki berbagai aktivitas farmakologis, salah satunya sebagai anti-inflamasi. Penelitian ini dilakukan secara in silico dengan metode penambatan molekuler senyawa turunan benzimidazol Mannich terhadap COX-1 dan COX-2 untuk mengetahui potensi anti-inflamasi senyawa menggunakan Autodock 4 dan Autodock Vina. Hasil validasi menunjukkan bahwa nilai RMSD Autodock 4 dan Autodock Vina dibawah 2 Å sehingga penambatan molekuler dilakukan pada kedua perangkat lunak. Pada penambatan molekuler menggunakan Autodock 4, turunan benzimidazol substituen vanilin 2,6-dimetilmorfolin diprediksi paling selektif terhadap COX-2 yaitu rasio Ki COX-1/2 senilai 162,79. Pada penambatan molekuler menggunakan Autodock Vina, turunan benzimidazol substituen vanilin dietilamina diprediksi paling selektif terhadap COX-2 yaitu rasio Ki COX-1/2 senilai 112,88. Visualisasi interaksi pada Autodock 4 dan Autodock Vina juga menunjukkan hasil yang sedikit berbeda. Dengan demikian terdapat dua buah kesimpulan yang diperoleh: senyawa turunan benzimidazol Mannich memiliki potensi anti-inflamasi inhibitor selektif COX-2, dan terdapat perbedaan interaksi yang muncul di antara penambatan molekuler terhadap Autodock 4 dan Autodock Vina.

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Inflammation is a physiological response occurred by tissue injury and infection. Inflammation can be treated with drugs such as COX-2 selective NSAID. Benzimidazole is a leading compound that has many pharmacological activities such as anti-inflammation. In this study, in silico testing is carried out with molecular docking into Mannich benzimidazole derivatives against COX-1 and COX-2 using Autodock 4 and Autodock Vina to determine the anti-inflammatory potential of the test compounds. Validation result shows that both the RMSD value of both Autodock 4 and Autodock Vina are below 2 Å. Hence, molecular docking is conducted with both programs. Autodock 4 result shows that benzimidazole derivative with vanillin 2,6-dimethylmorpholine substitution is predicted to be the most selective against COX-2 with the Ki COX-1/2 ratio of 162.79. Autodock Vina result shows that benzimidazole derivative with vanillin diethylamine substitution is predicted to be the most selective against COX-2 with the Ki COX1/2 ratio of 112.88. Interaction visualization of Autodock 4 and Autodock Vina also shows few differences, yielding two conclusions from the study: Mannich benzimidazole derivatives have anti-inflammatory potential selective to COX-2 and there are few differences appeared in molecular docking with Autodock 4 and Autodock Vina."

"Inflamasi adalah respon dari sistem imun tubuh terhadap hal yang dapat membahayakan tubuh, seperti patogen, sel yang rusak, zat beracun, atau radiasi. Proses inflamasi yang berlebihan dapat menimbulkan beberapa penyakit kronis, seperti inflammatory bowel disease, diabetes melitus tipe I, artritis, dan kanker. Beberapa terapi inflamasi menargetkan untuk menghambat metabolisme asam arakidonat jalur siklooksigenase (COX-1 dan COX-2) dan 5-lipoksigenase (5-LOX). Kurkumin merupakan senyawa alami yang memiliki beberapa aktivitas antiinflamasi dan antiproliferasi. Namun, kurkumin memiliki kestabilan dan kelarutan yang buruk. Untuk memperbaiki kekurangan tersebut beberapa modifikasi struktur telah dilakukan, antara lain siklisasi gugus 1,3-dikarbonil membentuk cincin pirazol dan substitusi gugus basa Mannich. Pada penelitian ini dilakukan pengujian in silico dengan penambatan molekuler senyawa turunan kurkumin pirazol Mannich terhadap COX-1, COX-2, dan 5-LOX untuk memprediksi potensi aktivitas antiinflamasi senyawa tersebut. Proses validasi dilakukan dengan program AutoDock dan AutoDock Vina. Hasil validasi menunjukkan bahwa program AutoDock mempunyai nilai Root Mean Square Deviation (RMSD) yang lebih baik dibandingkan dengan AutoDock Vina. Hasil penambatan molekuler menunjukan bahwa seluruh senyawa turunan kurkumin pirazol Mannich memiliki selektivitas terhadap COX-2 dibandingkan terhadap COX-1. Senyawa yang memiliki energi bebas ikatan terendah berturut-turut pada COX-1, COX-2, dan 5-LOX adalah kurkumin pirazol tersubstitusi basa Mannich metilpiperazin  (-7,47 kkal/mol), dimetilmorfolin (-11,01 kkal/mol), dan morfolin (-6,55 kkal/mol). Senyawa yang memiliki nilai selektivitas tertinggi adalah kurkumin pirazol tersubstitusi basa Mannich dibutilamin dan morfolin dengan nilai S 0,0001. Maka dari itu, dapat disimpulkan bahwa senyawa kurkumin pirazol Mannich diprediksi memiliki potensi anti-inflamasi melalui penghambatan COX-2 selektif.

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Inflammation is the response of the body's immune system to things that can harm the body, such as pathogens, damaged cells, toxic substances, or radiation. Excessive inflammatory processes can cause several chronic diseases, such as inflammatory bowel disease, type I diabetes mellitus, arthritis, and cancer. Some inflammatory therapies target to inhibit the arachidonic acid metabolism of the cyclooxygenase pathway (COX-1 and COX-2) and 5-lipoxygenase (5-LOX). Curcumin is a natural compound having several biological activities such as anti-inflammatory and antiproliferation. However, curcumin has poor stability and solubility. To improve these deficiencies several structural modifications have been done, such as cyclization of the 1,3-dicarbonyl moiety to form pyrazole ring and the substitution of Mannich base group. In this study, an in silico test was carried out by molecular docking of curcumin pyrazole Mannich derivatives against COX-1, COX-2, and 5-LOX to predict the anti-inflammatory activity potential of the compounds. The validation process was performed using the AutoDock and AutoDock Vina programs. The validation results indicated that the AutoDock program showed a better value of Root Mean Square Deviation (RMSD) compared to AutoDock Vina. The results of the molecular docking study showed that all pyrazole curcumin Mannich derivatives have selectivity to COX-2 compared to COX-1. Compounds having the lowest free binding energy against COX-1, COX-2, and 5-LOX respectively were curcumin pyrazole substituted Mannich base of methylpiperazine (-7.47 kcal/mol), dimethylmorpholine (-11.01 kcal/mol), and morpholine (-6.55 kcal/mol). The compounds having the highest selectivity value are curcumin pyrazole substituted Mannich base of dibutylamine and morpholine with a value of S 0.0001. Therefore, it can be concluded that curcumin pyrazole Mannich derivatives were predicted to have anti-inflammatory potential by selective inhibitory to COX-2.

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"Asam salisilat memiliki aktivitas anti-inflamasi dan antioksidan, namun dapat menimbulkan efek samping pada saluran cerna. Modifikasi gugus karboksilat senyawa tersebut menjadi turunan amida dapat menjadi solusi untuk mengatasi kekurangannya. Pada penelitian ini dilakukan sintesis senyawa analog salisilamida, 2‐hidroksi‐N‐(piridin‐2‐il)benzamida (1) dan turunan basa Mannich-nya (2a-f). Berdasarkan hasil uji aktivitas anti-inflamasi in vitro dengan metode penghambatan denaturasi protein, senyawa hasil sintesis menunjukkan aktivitas anti-inflamasi dengan hasil uji IC50 pada rentang = 0,118-0,434 mM. Aktivitas tersebut lebih rendah dibandingkan piroksikam yang digunakan sebagai senyawa standar (IC50 = 0,0073 mM). Senyawa 2e, 2‐hidroksi‐N‐(piridin‐2‐il)benzamida tersubstitusi basa Mannich 2,6-dimetilmorfolin merupakan senyawa paling tinggi aktivitasnya. Energi ikatan (DG) yang diperoleh dari studi penambatan molekul adalah -8,49 kkal/mol pada reseptor COX-1 (PDB ID: 1EQG) dan -8,92 kkal/mol pada reseptor COX-2 (PDB ID: 5KIR). Pengujian antioksidan dengan metode DPPH diperoleh rentang IC50 = 0,63-12,90 mM, sedangkan dengan metode FRAP diperoleh EC50 antara 0,68-0,91 mM. Semua senyawa hasil sintesis memiliki aktivitas antioksidan lebih rendah dibandingkan dengan standar asam askorbat (metode DPPH, IC50= 0,0021 mM; metode FRAP, EC50= 0,008 mM).

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Salicylic acid is a natural active substance known to have anti-inflammatory and antioxidant activity, but it has side effects in gastrointestinal tract. The modification of its carboxylic groups into amide derivatives can be a solution to overcome its weakness. In this study we synthesized salicylamide analog, 2‐hydroxy‐N‐(pyridine‐2-yl)benzamide (1) and its Mannich base derivatives (2a-f). Based on an in-vitro anti-inflammatory activity test using the inhibition protein denaturation method, the synthesized compounds showed anti-inflammatory activity. The IC50 obtained was in the range of 0.118-0.434 mM. The activity was lower than piroxicam used as a standard compound (IC50 = 0.0073 mM). Compound 2e, 2‐hydroxy‐N‐(pyridine‐2-yl)benzamide substituted by 2,6-dimethylmorpholin Mannich base, showed the highest activity with IC50= 1.18 mM. The binding energy (DG) obtained from molecular docking study was -8.49 kcal/mol and -8.92 kcal/mol for COX-1 and COX-2 receptors (PDB ID: 1EQG and 5KIR) protein target respectively. The antioxidant activity using DPPH test was obtained with IC50 in the range of 0.63-12.90 mM, while using the FRAP method EC50 in the range of 0.68-0.91 mM. All the synthesized compounds had lower antioxidant activity than ascorbic acid used as a standard (DPPH method, IC50 = 0.0021 mM; FRAP methode, EC50 = 0.008 mM)"

"Obat antiinflamasi non-steroid (OAINS) adalah salah satu obat antiinflamasi yang paling sering digunakan. Namun, OAINS menghambat enzim COX-1 dan COX-2 sekaligus sehingga memiliki efek samping yang cukup serius jika digunakan jangka panjang, seperti gastrointestinal dan gangguan ginjal. Studi melaporkan benzimidazol dan vanilin memiliki aktivitas antioksidan dan antiinflamasi namun potensi dari kedua senyawa ini masih rendah. Modifikasi struktur benzimidazol pada posisi 2 dan substitusi basa C-Mannich diharapkan dapat memberikan peningkatan aktivitas antioksidan dan antiinflamasi serta bioavailibiltas yang lebih baik. Dengan demikian, dilakukan sintesis, uji in vitro antioksidan dan antiinflamasi serta studi penambatan molekuler senyawa turunan basa Mannich dari benzimidazolvanilin. Sintesis dilakukan dalam dua tahapan, yaitu sintesis benzimidazolvanilin melalui reaksi siklokondensasi antara o-fenilendiamin dengan vanilin. Dilanjutkan dengan sintesis tahap 2, yaitu reaksi basa Mannich yang terdiri dari reaksi kondensasi, dehidrasi, dan adisi nukelofilik antara senyawa benzimidazolvanilin dengan formaldehid dan amina sekunder. Telah berhasil disintesis 4 senyawa turunan benzimidazolvanilin yang merupakan senyawa benzimidazol tersubstitusi vanilin pada posisi 2 dan tersubstitusi basa C-Mannich pada posisi orto pada fenolik yaitu; benzimidazolvanilin-morfolin (2a), benzimidazolvanilin-pirolidin (2b), benzimidazolvanilin-dietilamina (2c), danbenzimidazolvanilin-dimetilamina (2d) dengan persen rendemen sebesar (%) 82,51 (2a); 43,74 (2b); 47,78 (2c); 51,12 (2d). Senyawa yang terbentuk dikarakterisasi strukturnya menggunakan FTIR, 1H-NMR, dan 13C-NMR. Senyawa-senyawa tersebut dilakukan uji aktivitas antioksidan dengan metode DPPH, hasil menunjukkan IC50 (μM) sebesar 59,63 (2a); 76,33 (2b); 70,00 (2c); 76,24 (2d). Selanjutnya dilakukan uji aktivitas antiinflamasi dengan metode penghambatan denaturasi protein, menunjukkan IC50 (μM) sebesar 231,06 (2a); 210,43 (2b); 229,55 (2c) dan 243,74 (2d). Pengujian in-silico dilakukan dengan penambatan molekuler antara senyawa 2a-2d terhadap protein COX-2 dan COX-1 menggunakan program Autodock. Hasil penambatan molekuler didapatkan senyawa 2b merupakan senyawa dengan indeks selektivitas terbaik sebesar 23,32 dan binding affinity sebesar -9,09 kkal/mol. Dari data tersebut menunjukkan senyawa hasil sintesis bukan merupakan inhibitor COX-2 selektif.

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Non-steroidal anti-inflammatory drugs (NSAIDs) are one of the most commonly used anti-inflammatory drugs. However, NSAIDs inhibit COX-1 and COX-2 enzymes at the same time and have serious side effects if used long-term, such as gastrointestinal and renal disorders. Studies report benzimidazole and vanillin have antioxidant and anti-inflammatory activities but the potency of these two compounds is still low. Modification of the benzimidazole structure at position 2 and C-Mannich base substitution are expected to provide increased antioxidant and anti-inflammatory activity and better bioavailability. Thus, the synthesis, antioxidant and anti-inflammatory in vitro tests and molecular tethering studies of Mannich base derivative compounds of benzimidazolvaniline were carried out. The synthesis was carried out in two stages, namely the synthesis of benzimidazolvaniline through a cyclocondensation reaction between o-phenylenediamine and vanillin. Followed by stage 2 synthesis, which is a Mannich base reaction consisting of condensation, dehydration, and nucleophilic addition reactions between benzimidazolvaniline compounds with formaldehyde and secondary amines. Four benzimidazolvanillin-derived compounds have been successfully synthesized which are vanillin-substituted benzimidazole compounds at position 2 and C-Mannich base substituted at the ortho position on phenolics, namely; benzimidazolvanillin-morpholine (2a), benzimidazolvaniline-pyrrolidine (2b), benzimidazolvaniline-diethylamine (2c), and benzimidazolvaniline-dimethylamine (2d) with percent yields of (%) 82.51 (2a); 43.74 (2b); 47.78 (2c); 51.12 (2d). The formed compounds were characterized using FTIR, 1H-NMR, and 13C-NMR. The compounds were tested for antioxidant activity using the DPPH method, the results showed IC50 (μM) of 59.63 (2a); 76.33 (2b); 70.00 (2c); 76.24 (2d). Furthermore, the anti-inflammatory activity was tested using protein denaturation inhibition method, showing IC50 (μM) of 231.06 (2a); 210.43 (2b); 229.55 (2c) and 243.74 (2d). In-silico testing was carried out by molecular docking between compounds 2a-2d against COX-2 and COX-1 proteins using the Autodock program. The results of molecular docking showed that compound 2b is the compound with the best selectivity index of 23.32 and binding affinity of -9.09 kcal/mol. The data shows that the synthesized compound is not a selective COX-2 inhibitor."

"Obat antiinflamasi non-steroid (AINS) bekerja dengan cara menghambat produksi prostaglandin melalui penghambatan enzim siklooksigenase, sehingga banyak digunakan dalam pengobatan inflamasi secara luas. Senyawa kimia 3-Fenil-2-stiril-4(3H)-kuinazolinon tersubstitusi sulfonamida atau sulfasetamida merupakan senyawa baru hasil sintesis. Beberapa senyawa diaril-4(3H)-kuinazolon tersubtitusi gugus SO2NH2 pada salah satu cincin arilnya diprediksi akan mempunyai aktivitas penghambatan COX-2 yang baik. Penelitian ini bertujuan mengamati dinamika interaksi inhibisi ikatan beberapa senyawa 3-Fenil-2-stiril- 4(3H)-kuinazolinon tersubstitusi sulfonamida atau sulfasetamida dengan COX-2. Pengujian dinamika interaksi dilakukan secara in silico melalui penambatan molekuler menggunakan AutoDock 4.0 dan simulasi dinamika molekuler selama dua nanodetik menggunakan Amber 11. Berdasarkan nilai ΔG hasil penambatan molekul, dapat dibagi menjadi 3 kelompok: kelompok sangat selektif yaitu senyawa 2i, 2e dan 2d (-10,92; -10,93 dan -11,33 kkal/mol) dibandingkan dengan SC-558 (-10,90 kkal/mol); kelompok selektif yaitu senyawa 2f, 2b, 2c dan 2a (- 10,68; -9,79; -9,57 dan -9,22 kkal/mol) dibandingkan dengan selekoksib (-10,63 kkal/mol); kelompok non-selektif yaitu senyawa 2aa, 2ba dan 2ca (-6,98; -6,87 dan -6,48 kkal/mol) dibandingkan dengan aspirin (-4,82 kkal/mol). Simulasi dinamika molekuler pada kompleks 6COX dengan senyawa 2a menunjukkan jumlahikatan hidrogen yang cenderung tidak stabil, sedangkan kompleks dengan senyawa 2aa, 2i dan SC-558 menunjukkan jumlah ikatan hidrogen yang cenderung stabil.

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The Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) inhibit the production of prostaglandins by inhibiting cyclooxygenase (COX) activity, so that it is used in the treatment of a wide variety of inflammation conditions. Sulfonamides or sulfacetamides substituted of 3-Phenyl-2-styril-4(3H)-quinazolinones are the novel compound produced by synthesis. SO2NH2 substituted in one of the aryl ring of diaryl-4(3H)-quinazolones are predicted as a good COX-2 inhibitor. The aims of this research is to observe the inhibition activity of sulfonamides or sulfacetamides substituted of 3-Phenyl-2-styril-4(3H)-quinazolinones with COX- 2. The study of COX-2,binding inhibition and dynamics interaction was done with in silico method by molecular docking with AutoDock 4.0 and molecular dynamics in 2 nanoseconds with Amber 11. Those compound could be divided into 3 groups, based on ΔG scores of docking result: very selective group, compound 2i, 2e and 2d (-10.92; -10.93 and -11.33 kcal/mol) compared to SC-558 (-10.90 kcal/mol); selective group compound 2f, 2b, 2c and 2a (-10.68; -9.79; - 9.57 and -9.22 kcal/mol) compared to celecoxib (-10.63 kcal/mol); non-selective group, compound 2aa, 2ba and 2ca (-6.98; -6.87 and -6.48 kcal/mol) compared to aspirin (-4.82 kcal/mol). Molecular dynamics simulation of complex 6COX with compound 2a showed unstable hydrogen bond number, whereas complex with compound 2aa, 2i and SC-558 showed stable hydrogen bond number."

"Benzimidazol dan vanilin terbukti memiliki aktivitas anti-inflamasi yang baik dengan efek samping minimal dibanding OAINS dan sudah banyak diteliti, namun beberapa masih memiliki potensi yang rendah. Substitusi basa Mannich seperti N-metilpiperazin dapat meningkatkan aktivitas anti-inflamasi dan meningkatkan bioavailabilitas molekul obat. Oleh karena itu, dilakukan sintesis dan karakterisasi senyawa baru 4-(benzimidazol-2-il)-2-metoksi-6-[(4-metilpiperazin-1-il)metil] fenol. Sintesis dilakukan dalam dua tahap, tahap pertama yaitu sintesis 4‐(benzimidazol‐2‐il)‐2‐metoksi fenol melalui reaksi siklokondensasi antara o-fenilendiamin dan vanilin menggunakan refluks selama 23 jam. Monitoring reaksi dilakukan menggunakan KLT dengan fase diam silika gel F254 dan fase gerak kloroform – etil asetat – metanol (9:6:1). Tahap kedua, sintesis 4-(benzimidazol-2-il)-2-metoksi-6-[(4-metilpiperazin-1-il)metil] fenol melalui reaksi Mannich antara senyawa 4‐(benzimidazol‐2‐il)‐2‐metoksi fenol, formaldehid, dan N-metilpiperazin. Monitoring dilakukan menggunakan KLT dengan fase diam silika gel F254 dan fase gerak kloroform - metanol (3:2). Kedua senyawa hasil sintesis diuji kemurniannya menggunakan KLT dan penetapan jarak lebur serta elusidasi struktur menggunakan spektrofotometri FT-IR dan 1H-NMR. Jarak lebur yang diperoleh dari hasil sintesis tahap 1 yaitu 214-216oC dan untuk tahap 2 yaitu 240-242 oC. Hasil elusidasi struktur menunjukkan bahwa senyawa tahap 1 adalah 4‐(benzimidazol‐2‐il)‐2‐metoksi fenol dan senyawa tahap 2 adalah 4-(benzimidazol-2-il)-2-metoksi-6-[(4-metilpiperazin-1-il)metil]fenol. Nilai rendemen senyawa murni yang didapatkan dari hasil sintesis tahap 1 dan tahap 2 berturut-turut sebesar 71,93% dan 33,25%.

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Benzimidazole and vanillin have been shown to have good anti-inflammatory activity with minimal side effects compared to NSAIDs and have been widely studied, but some still have low potency. Mannich base substitution such as N-methylpiperazine can increase anti-inflammatory activity and molecular bioavailability. Therefore, the synthesis and characterization of the new compound 4-(benzimidazole-2-yl)-2-methoxy-6-[(4-methylpiperazine-1-yl)methyl]phenol was carried out. The synthesis was carried out in two steps, the first step was the synthesis 4-(benzimidazole-2-yl)-2-methoxyphenol through a cyclocondensation reaction between o-phenylenediamine and vanillin using reflux for 23 hours. The reaction monitoring was carried out using TLC with silica gel F254 as a stationary phase and a mobile phase of chloroform – ethyl acetate – methanol (9:6:1). The second step, the synthesis of 4-(benzimidazole-2-yl)-2-methoxy-6-[(4-methylpiperazine-1-yl)methyl]phenol through the Mannich reaction between the compound 4-(benzimidazole-2-yl)-2-methoxyphenol, formaldehyde, and N-methylpiperazine. Monitoring was carried out using TLC with silica gel F254 as a stationary phase and a mobile phase of chloroform - methanol (3:2). The two synthesis products were tested for purity using TLC and determination of melting distance and structure elucidation using FT-IR and 1H-NMR spectrophotometry. Melting distance obtained from the synthesis of step 1 is 214-216oC and for step 2 is 240-242oC. The results of the structural elucidation showed that the compound in step 1 was 4-(benzimidazole-2-yl)-2-methoxyphenol and the compound in step 2 was 4-(benzimidazole-2-yl)-2-methoxy-6-[(4-methylpiperazine-1-yl)methyl]phenol. The yield value of pure compounds obtained from the synthesis of step 1 and step 2 was 71.93% and 33.25%, respectively."

"Propolis merupakan suatu campuran resin alami yang dikumpulkan lebah dari berbagai tanaman yang dihinggapinya. Umumnya, propolis dihasilkan dalam jumlah yang banyak oleh lebah yang tidak bersengat dibandingkan lebah yang bersengat. Di Indonesia, diketahui bahwa daerah Kalimantan, terutama Kalimantan Selatan, merupakan daerah dengan variasi spesies lebah tidak bersengat tertinggi. Pada penelitian ini, dipilih tiga sampel propolis dari spesies lebah Heterotrigona itama, Geniotrigona thoracica, dan Tetragonula laeviceps asal Kalimantan Selatan. Pemilihan spesies lebah ini dilakukan berdasarkan data persebaran lebah di Indonesia yang dimiliki oleh Asosiasi Perlebahan Indonesia (API). Variasi asal daerah lebah penghasil propolis dan spesies lebah dapat menyebabkan kandungan senyawa kimia pada propolis sangat beragam. Adanya keragaman kandungan senyawa kimia pada setiap propolis akan menyebabkan senyawa bioaktif antiinflamasi yang terdeteksi juga berbeda. Oleh karena itu dilakukan identifikasi senyawa bioaktif antiinflamasi melalui pendekatan metabolomik yang mengkombinasikan metode analisis kimia dengan analisis statistik. Identifikasi senyawa metabolit secara umum dilakukan menggunakan instrumen LCMS/MS dan kemudian dipilih sembilan senyawa yang berpotensi sebagai senyawa bioaktif antiinflamasi. Identifikasi senyawa yang berperan signifikan dalam aktivitas antiinflamasi dilakukan dengan analisis statistik multivariat menggunakan data senyawa potensi bioaktif antiinflamasi dan nilai IC50 sampel propolis. Hasil penelitian ini adalah diperoleh senyawa 18-β-Glycyrrhetinic acid sebagai senyawa bioaktif antiinflamasi propolis Indonesia.

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Propolis is a natural resin mixture that bees collect from the various plants they inhabit. Generally, propolis is produced in greater quantities by stingless bees than stingless bees. In Indonesia, it is known that Kalimantan, especially South Kalimantan, is an area with the highest variety of stingless bee species. In this study, three propolis samples were selected from the bee species Heterotrigona itama, Geniotrigona thoracica, and Tetragonula laeviceps from South Kalimantan. The selection of bee species is based on data on the distribution of bees in Indonesia owned by the Indonesian Beekeeping Association (API). Variations in the origin of the propolis-producing bees and bee species can cause the content of chemical compounds in propolis to vary widely. The diversity of chemical compounds in each propolis will cause the detected anti-inflammatory bioactive compounds to be different. Therefore, identification of anti-inflammatory bioactive compounds was carried out through a metabolomics approach that combined chemical analysis methods with statistical analysis. Identification of metabolites in general was carried out using the LCMS/MS instrument and then nine compounds were selected as potential anti-inflammatory bioactive compounds. Identification of compounds that play a significant role in anti-inflammatory activity was carried out by multivariate statistical analysis using data on potential anti-inflammatory bioactive compounds and IC50 values of propolis samples. The results of this study were obtained by the compound 18-β-Glycyrrhetinic acid as an anti-inflammatory bioactive compound in Indonesian propolis."

"ABSTRACTThree types of cyclopentanone derivatives have been synthesized from aromatic aldehyde and ketone derivatives undera base condition through aldol condensation. These cyclopentanone products were 2,5-dibenzylidene-cyclopentanone (a), 2,5-bis-(4-hydroxy-benzylidene)-cyclopentanone (b),and 2,5-bis-(4-hydroxy-benzylidene)-cyclopentanone (c)which has a yield of 63-99%. The chemical structure of these compounds were determined using UV, IR and NMRspectroscopy. In order to clarify the role of hydroxyl and amine moieties, toxic, antioxidant and anti-inflammatoryactivities were carried out. The toxic test indicated that thecompounds showed strong toxicity. In addition, the presenceof hydroxyl and amine groups on both rings of curcumin increased the antioxidant and anti-inflammatory activities."

"Nyeri neuropatik merupakan rasa sakit akibat gangguan susunan saraf dengan prevalensi penderita sekitar 7 hingga 10 persen populasi dunia. Pengobatan alternatif menggunakan jamu herbal diajukan sebagai pengobatan minim efek samping dan harga terjangkau. Pada penelitian ini, akan dilakukan perbandingan fenolik pada ekstrak cair dan padat Jamu Turun Tegang Saraf (TTS) yang terbuat dari pala (Myristica fragrans), cengkeh (Syzyangium aromaticum) dan jahe (Zingiber officinale) serta pengujian in silico aktivitas antiinflamasi senyawa aktif jamu. Ekstrak cair dihasilkan dari refluks air bahan segar dan bubuk simplisia sedangkan bubuk ekstrak dihasilkan dari pengeringan oven dan pengeringan beku. Total fenolik pada ekstrak cair bahan segar dan bubuk simplisia tertinggi diperoleh sebesar 298,5 mg GAE per L dan 983,3 mg GAE/L pada konsentrasi 100.000 ppm. Total fenolik pada bubuk ekstrak pengeringan oven dan pengeringan beku diperoleh 281,7 mg GAE per L dan 999,6 mg GAE per L. Analisis LC MS ekstrak jamu menunjukkan adanya senyawa seperti gingerol, shogaol, myristicin, eugenol, adenine, dan chlorogenic acid. Pengeringan baik oven dan pengeringan beku menurunkan luas area pada senyawa aktif, tetapi pengeringan beku memiliki pengaruh penurunan lebih kecil. Berdasarkan pengujian in silico menggunakan perangkat lunak MOE, didapatkan hasil berupa afinitas pengikatan yang tinggi antara senyawa aktif Jamu TTS sebagai ligan termodifikasi dengan protein siklooksigenase (COX 1 dan COX 2) sebagai penyebab inflamasi.

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Neuropathic pain is pain due to nervous system disorders with a prevalence of sufferers around 7 to 10 percent of the world's population. Alternative medicine using herbal medicine is proposed as a treatment with minimal side effects and affordable prices. In this study, a comparison of phenolics will be carried out on liquid and solid extracts of Jamu Neuropathic Pain Reducer (NPR) made from nutmeg (Myristica fragrans), cloves (Syzyangium aromaticum) and ginger (Zingiber officinale) as well as in silico testing of anti-inflammatory activity of active compounds of herbs. The liquid extract is produced from water reflux of fresh material and simplisia powder while the extract powder is produced from oven drying and freeze drying. The highest total phenolics in fresh ingredient liquid extract and simplisia powder were obtained at 298.5 mg GAE per L and 983.3 mg GAE per L at a concentration of 100,000 ppm. Total phenolics in oven drying and freeze-drying extract powder obtained 281.7 mg GAE per L and 999.6 mg GAE per L. LC MS analysis of herbal extracts showed the presence of compounds such as gingerol, shogaol, myristicin, eugenol, adenine, and chlorogenic acid. Both oven drying and freeze drying decrease the area of the active compound, but freeze drying has a smaller decreasing effect. Based on molecular docking simulations using MOE software, results were obtained in the form of high binding affinity between the active compound of Jamu NPR as a modified ligand with cyclooxygenase proteins (COX 1 and COX 2) as the key role in inflammation."

"Natrium diklofenak termasuk anti-inflamasi non-steroid (OAINS) dengan efek samping iritatif terhadap lambung sehingga perlu dibuat sistem pelepasan zat aktif ditunda. Tablet lepas tunda memerlukan polimer bersifat pH dependent, seperti hidroksipropil metil selulosa ftalat (HPMCP). Masalah yang dapat terjadi pada tablet salut, yaitu retakan di lapisan penyalut akibat ketidakelastisan polimer akan pemuaian akibat pemanasan. Diperlukan penambahan plasticizer yang kompatibel terhadap polimer untuk menambah keelastisannya, seperti triasetin dan trietil sitrat. Penelitian ini berfokus dalam mengevaluasi pengaruh penambahan trietil sitrat ataupun triasetin terhadap adanya cracking serta efeknya terhadap pelepasan obat pada variasi weight gain tertentu. Dilakukan metode penyalutan, yaitu formula HPMCP atau HP (F1) ; HPMCP-Triasetin atau HP-TRI (F2) ; HPMCP-Trietil Sitrat atau HP-TEC (F3) ; dan HPMCP-Triasetin-Trietil Sitrat atau HP-TRI-TEC (F4) yang akan dibuat dalam variasi weight gain 8%, 10%, dan 12%. Morfologi cracking dievaluasi dengan scanning electron microscopy (SEM). Hasil evaluasi SEM tidak ditemukan cracking dan kekasaran lapisan penyalut tablet, yaitu F1 > F3 > F4 > F2. Semua formula dan variasi weight gain-nya memenuhi syarat pelepasan obat di medium asam maupun basa. Jadi, penggunaan polimer HPMCP saja sudah mampu menahan pelepasan obat di kondisi asam dan penambahan plasticizer triasetin dan trietil sitrat mampu memperhalus morfologi lapisan penyalut tablet salut enterik.

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Sodium diclofenac is a non-steroidal anti-inflammatory drug (NSAID) with gastric irritative, necessitating the development of a delayed-release drug delivery system. This system require a pH-dependent polymer, such as hydroxypropyl methylcellulose phthalate (HPMCP). A problem that can occur is cracking in the coating layer due to the polymer's lack of elasticity during expansion caused by heating. To enhance its elasticity, the addition of a compatible plasticizer is needed, such as triacetin and triethyl citrate. This study focuses on evaluating the influence of adding triethyl citrate or triacetin on the occurrence of cracking and its effects on drug release at specific weight gain variations. The coating methods used include HPMCP or HP (F1), HPMCP-Triacetin or HP-TRI (F2), HPMCP-Triethyl Citrate or HP-TEC (F3), and HPMCP-Triacetin-Triethyl Citrate or HP-TRI-TEC (F4). These formulations will be made with variations of weight gain at 8%, 10%, and 12%. Cracking morphology will be evaluated using scanning electron microscopy (SEM). The SEM evaluation results showed no cracking and the surface roughness are F1 > F3 > F4 > F2. All formulations and their weight gain met the requirements for drug release in both acidic and basic media. Therefore, the use of HPMCP polymer alone is already capable of controlling drug release in acidic conditions, and the addition of triacetin and triethyl citrate plasticizers can further smoothen the morphology."