Hasil Pencarian  ::  Simpan CSV :: Kembali

Hasil Pencarian

Ditemukan 49562 dokumen yang sesuai dengan query
cover
Berwi Fazri Pamudi
"Malaria merupakan salah satu infeksi parasit yang menjadi permasalahan di dunia. Tidak adanya vaksin yang efektif dan strain Plasmodium yang resisten terhadap obat antimalaria menunjukkan pentingnya untuk adanya pengembangan agen kemoterapi baru. Metode yang saat ini sedang banyak dikembangkan adalah pencarian obat antimalaria dengan menggunakan penapisan in silico atau dikenal pula dengan nama virtual screening. Salah satu enzim yang berperan dalam perkembangan parasit malaria adalah Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR). Inhibisi pada enzim tersebut akan menyebabkan biosintesis lemak tipe II pada parasit akan terhenti. Pada penelitian kali ini dilakukan penapisan in silico menggunakan perangkat lunak GOLD untuk mencari kandidat inhibitor PfENR dengan menggunakan ligan yang terdapat pada database Tanaman Obat di Indonesia. Pada perangkat lunak GOLD dilakukan penambatan molekuler antara ligan dengan makromolekul target yaitu PfENR. Target ini telah dioptimasi dengan penghilangan residu dan penambahan muatan. Ligan diharapkan dapat menjadi inhibitor PfENR. Berdasarkan hasil dari penapisan in silico ini terdapat 5 kandidat senyawa inhibitor yang diharapkan dapat dikembangkan sebagai obat antimalaria. Senyawa tersebut yaitu Kaempferol 3-rhamnosyl-(1-3)-rhamnosyl-(1-6)-glucoside, Cyanidin 3,5-di-(6-malonylglucoside), 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide), Epigallocatechin 3,5,-di-O-gallate, dan Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1-6)-glucoside dengan kisaran GoldScore dari 80,6236 sampai 100,4109.

Malaria is one of problematic infectious diseases worldwide. The absence of an effective vaccine and the spread of drug resistant strains of Plasmodium clearly indicate the necessity for the deveploment of new chemotherapeutic agents. Recent method being developed is searching a new drug of antimalarial using in silico screening, or also known as virtual screening. One of enzyme target that important for growth of the malaria parasite is Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR). Inhibition of this enzyme cause the fatty acid biosynthesis type II will be terminated. In this research, in silico screening was performed using GOLD software to find inhibitor candidates of PfENR by using ligands from the database of Medicinal Plants in Indonesia. On the GOLD software moleculer docking experiments were performed between ligands and macromolecule target PfENR. This target that has been optimized with residue removal and charges addition. Ligand is expected to be the PfENR inhibitors. Based on the results obtained from the in silico screening there were 5 inhibitor candidates which expected to be developed as an antimalarials. These compounds were Kaempferol 3-rhamnosyl-(1-3)-rhamnosyl-(1-6)-glucoside, Cyanidin 3,5-di-(6-malonylglucoside), 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide), Epigallocatechin 3,5,-di-O-gallate, and Quercetin 3,4'-dimethyl ether 7-alpha-L-Arabinofuranosyl-(1-6)-glucoside with the GoldScore ranged from 80.6236 to 100.4109."
Depok: Universitas Indonesia, 2011
S46
UI - Skripsi Open  Universitas Indonesia Library
cover
Wahyu Fitriana
"ABSTRAK
Malaria menjadi masalah kesehatan global utama dengan angka kejadian kemoresistensi yang tinggi, sedangkan ketersediaan obat yang efektif terbatas. Hal tersebut mendasari pentingnya pengembangan obat antimalaria baru. Pendekatan berbasis struktur digunakan untuk merancang analog triklosan dengan target enzim Plasmodium falciparum enoyl acyl carrier protein reductase (PfENR). Gugus fenol disubstitusi dengan gugus metoksi, serta gugus Cl di posisi 2? cincin B dimodifikasi menjadi gugus 2,3-dihidroksi-propionamida. Penambahan dua gugus hidroksi pada cincin B menggunakan metode dihidroksilasi asimetrik Sharpless dengan ligan kiral (DHQ)2PHAL dan (DHQD)2PHAL menghasilkan dua produk analog triklosan sebagai campuran enansiomer. Interaksi molekuler analog triklosan terhadap PfENR ditentukan dengan AutoDock. Campuran enansiomer yang dihasilkan dari ligan kiral (DHQ)2PHAL memiliki rotasi spesifik (+) 0,0833, sedangkan campuran enansiomer yang dihasilkan dari ligan kiral (DHQD)2PHAL memiliki rotasi spesifik (-) 0,0678. Nilai IC50 kedua analog triklosan ditentukan terhadap galur sensitif klorokuin, 3D7. Jumlah parasit dihitung secara mikrokopis melalui apusan darah tipis yang diwarnai Giemsa. Nilai IC50 ditentukan dengan membandingkan parasitemia senyawa uji dengan kontrol yang dianggap memiliki pertumbuhan 100%. Aktivitas antimalaria campuran enansiomer yang dihasilkan dengan (DHQ)2PHAL dan dengan (DHQD)2PHAL memperlihatkan aktivitas yang lebih poten dibandingkan triklosan (IC50 2,72 x 10-2 M), dengan IC50 berturut-turut 3,38 x 10-5 M dan 2,82 x 10-5 M.

ABSTRACT
Malaria is a major global public health problem that alarming spread of drug resistance and limited number of effective drugs. That reason underline how important it is to discover new antimalarial drug. A structure-based approach has been taken to develop substituted analogs of triclosan that target the key malarial enzyme Plasmodium falciparum enoyl acyl carrier protein reductase (PfENR). The phenol moiety was chemically substituted with methoxy group, and Cl group at posistion 2? in ring B also modified with 2,3-dihydroxy-propionamide group. Sharpless asymmetric dihydroxylation with chiral ligand (DHQ)2PHAL and (DHQD)2PHAL is used to introduce two hydroxyl groups into the ring B to give two analogs of triclosan as enantiomer mixture. The binding energies of two analogs for PfENR were determined using Autodock. The enantiomer mixture generated by chiral ligand (DHQ)2PHAL showed specific rotation of (+) 0,0833, while enantiomer mixture resulted from chiral ligand (DHQD)2PHAL have (-) 0,0678 of specific rotation. The IC50 of two analogs of triclosan were determined against Plasmodium falciparum chloroquin-sensitive strain, 3D7. The number of parasites on thin Giemsa stained smears was calculated microscopically. IC50 determined by comparing paracitemia parasite growth in the presence of compound with that of control without compound. The analog compounds, enantiomer mixture resulted by either (DHQ)2PHAL or (DHQD)2PHAL showed a higher antimalarial activity than triclosan (IC50 2,72 x 10-2 M), with IC50 3,38 x 10-5 M and 2,82 x 10-5 M, respectively."
2013
T32920
UI - Tesis Membership  Universitas Indonesia Library
cover
Arry Yanuar
"ABSTRACT
Malaria is one of problematic infectious diseases worldwide. The absence of an effective vaccine and the spread of drug resistant strains of Plasmodium clearly indicate the necessity for the deveploment of new chemotherapeutic agents. Recent method being developed is searching a new drug of antimalarial using in silica screening, or also know as virtual screening. One of enzyme target that important for growth of the malaria parasite is P/asmodium /a/ciparum Enoyl' Acyl Canier Protein Reductase (PfENR). Inhibition of this enzyme cause the fatty acid biosynthesis type ll will be tem1inated. In this research, in silica screening was performed using GOLD softwa,<;_ to find inhibitor candidates of PfENR by using I igands from the natural compound database of Medicinal Plants in Indonesia. On the GOLD software moleculer docking experiments were perfom1ed between ligands and macromolecule target PfENR. This target that has been optimized with residue removal and charges addition. Ligand is expected to be the PfENR inhibitors. Based on the results obtained from the in silico screening there were S inhibitor candidates which expected to be developed as an antimalarials. These compounds \\"ere Kacmpferol 3-rhamnosyl-(1-3)-rhamnosyl- (1-6)­glucoside, Cyanidin 3.5-di-(6-1mlonylglucoside), 8-Hydroxyapigenin 8-(2",4"­disulfatoglucuronidc). Epigallocmechin 3.5.-di-O-gallate, a··;d Querceti.r1 3.4'-dimethyl ether 7-alpha-L- Arabinofuranosyl-(1-6)-glucoside with the GoldScore ranged from 80,63 to I 00,4 I.
"
2011
MK-Pdf
UI - Makalah dan Kertas Kerja  Universitas Indonesia Library
cover
Manurung, Raja Putra Klaudius
"Malaria menjadi masalah kesehatan global utama karena banyaknya kejadian resistensi obat, sedangkan ketersediaan obat yang efektif juga terbatas, sehingga mendasari pentingnya pengembangan obat antimalaria yang baru. Berbagai penelitian perancangan obat yang mentarget berbagai enzim terus dilakukan, terutama enzim Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR). Penapisan virtual sebagai salah satu metode pendekatan in silico telah digunakan pada pencarian senyawa penuntun dari basis data senyawa ataupun dari basis data bahan alam sebagai inhibitor PfENR. Pada penelitian ini dilakukan penapisan virtual basis data senyawa tanaman obat di Indonesia pada PfENR. Penapisan dilakukan dengan menggunakan piranti lunak AutoDock dan AutoDock Vina. Pada AutoDock Vina dilakukan validasi terlebih dahulu sedangkan pada AutoDock tidak dilakukan karena telah divalidasi oleh peneliti sebelumnya. Hasil validasi AutoDock Vina diperoleh grid box terbaik yaitu 80x80x80. Berdasarkan hasil penapisan diperoleh 10 peringkat senyawa terbaik dari tiap metode dan 5 senyawa irisan dari kedua metode yaitu jacoumaric acid, beta sitosterol glucoside (lyoniside), limacine, leucadenone B, dan yuehchukene.

Malaria is a major global public health problem. The alarming spread of its drug resistance and limited number of effective drugs available underline how important it is to discover new antimalarial drug. Various researches have been done to design drug targeting Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR) enzymes. Virtual screening as in silico approach has been used to find lead molecules from compound library or natural database as PfENR inhibitors. In this research, virtual screening of Indonesian herbal database was done to PfENR. Virtual screening was done using AutoDock and AutoDock Vina. AutoDock Vina was validated beforehand in order to obtain the best grid box while the virtual screening using AutoDock is not validated because it has been validated by previous researchers. Based on this research, the best grid box for AutoDock Vina is 80x80x80. Top ten ranked compounds were obtained for each method and five the same compound of the two methods that was jacoumaric acid, beta sitosterol glucoside (lyoniside), limacine, leucadenone B, and yuehchukene."
Depok: Fakultas Farmasi Universitas Indonesia, 2013
S46629
UI - Skripsi Membership  Universitas Indonesia Library
cover
Achmad Fahry
"Sejalan dengan semakin tingginya resistensi terhadap obat antimalaria dalam klinis, terdapat kebutuhan dilakukan pencarian senyawa-senyawa kimia yang berpotensi. Metode komputasi digunakan untuk membantu pencarian karena memiliki keunggulan seperti tidak banyak mengeluarkan biaya dan dapat dipercaya memprediksi afinitas ikatan ligan dengan target obat (protein). Tujuan penelitian adalah untuk mendapatkan senyawa analog triklosan dan senyawa herbal Indonesia yang berpotensi sebagai antimalaria. Analog triklosan dan beberapa senyawa basis data herbal Indonesia dihitung afinitas ikatannya dengan metode Molecular Mechanics Poisson-Blotzmann Surface Area (MM-PBSA) pada Plasmudium falciparum Enoyl Reductase(PfENR), dengan tiga titik variabel suhu 27oC, 37oC, dan 39oC. Didapatkan nilai energi bebas Gibbs (ΔG) pada analog triklosan enansiomer 1b -18,5009 kkal/mol suhu 37oC dan pada senyawa herbal spinasterol -31,3435 kkal/mol suhu 37oC dan limasin -24,9885 kkal/mol suhu 37oC. Dengan nilai energi bebas Gibbs tersebut menunjukkan bahwa senyawa tersebut memiliki potensi sebagai antimalaria.

Keeping pace with emerging drug resistance in clinically important pathogens will be greatly aided by inexpensive yet reliable computational methods that predict the ligands binding affinities for drug targets. the aim of this study to obtain potention antimalaria from analogues triclosan compound and Indonesia herbal compound. Analogues triclosan and several compound from Indonesia herbal database form Indonesia be calculated with molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) for the Plasmodium falciparum Enoyl Reductase (PfENR), at three point variable of temperature 27oC, 37oC, and 39oC. Obtained Gibbs free energy (ΔG) for analogues triclosan enansiomer 1b -18,5009 kkal/mol 37oC and for herbal compound spinasterole -31,3435 kkal/mol 37oC dan limacine -24,9885 kkal/mol 37oC. With that Gibbs free enrgy enansiomer 1a, spinasterole, and limacine shows that compound have potention as antimalaria."
Depok: Fakultas Farmasi Universitas Indonesia, 2014
S54548
UI - Skripsi Membership  Universitas Indonesia Library
cover
Elmahery Sri Pratiwy
"Malaria merupakan salah satu penyakit yang menyebabkan korban jutaan jiwa setiap tahun. Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase (PfENR) adalah enzim yang berperan dalam perkembangan parasit malaria. Pada saat ini telah ditemukan berbagai pengobatan untuk penyakit malaria di dunia, terutama di Indonesia, pengobatan yang telah banyak manfaatnya bagi masyarakat, seperti pada penggunaan obat konvensional maupun tradisional. Seiring perkembangan teknologi, khususnya pada pada bidang ilmu farmasi, metode virtual screening atau penapisan virtual mulai dikembangkan. Jenis penapisan in silico yang akan dilakukan dalam penelitian ini adalah penapisan berbasis struktur dengan menggunakan Basis Data dari A Directory of Useful Decoy (DUD) dan menggunakan program Autodock mendapatkan parameter optimum pada Grid Box 80 x 80 x 80 serta nilai EF 1% sebesar 55,5, EF 10% sebesar 7,2 dan EF 20% sebesar 3,29 dengan AUC ROC sebesar 0,927.

Malaria is one of diseases that annually emerge millions victim. Plasmodium Falciparum Enoyl Acyl Carrier Reductase (PfENR) is an enzyme target that important for growth of the malaria parasite. Recently, there were a malaria treatment, especially in Indonesia, which has many medical benefits for society, such as the use of conventional and traditional medicine. In a row with the development of technology, especially in classfier for pharmaceutical sciences, virtual screening methods or virtual screening was developed. The chosen in silico screening in this experiment is structure-based screening by using a database from the A Directory of Useful decoys (DUD) and using the program AutoDock, obtain optimum parameters on Grid Box 80 x 80 x 80 and the EF 1% at 55, 5, 10% at 7.2 EF and EF of 3.29 with a 20% AUC ROC of 0.927."
Depok: Fakultas Farmasi Universitas Indonesia, 2013
S46928
UI - Skripsi Membership  Universitas Indonesia Library
cover
Heru Suhartanto
"The invention of graphical processing units (GPUs) has significantly improved the speed of long processes used in molecular dynamics (MD) to search for drug candidates to treat diseases, such as malaria. Previous work using a single GTX GPU showed considerable improvement compared to GPUs run in a cluster environment. In the current work, AMBER and dual GTX 780 and 970 GPUs were used to run an MD simulation on the Plasmodium falciparum enoyl-acyl carrier protein reductase enzyme; the results showed that performance was improved, particularly for molecules with a large number of atoms using single GPU."
Depok: Faculty of Engineering, Universitas Indonesia, 2018
UI-IJTECH 9:1 (2018)
Artikel Jurnal  Universitas Indonesia Library
cover
Eko Aditya Rifai
"ABSTRAK
Malaria merupakan salah satu penyakit yang menyebabkan korban jutaan jiwa
setiap tahun. Plasmepsin adalah enzim utama di antara enzim lain dalam siklus
hidup plasmodium penyebab malaria yang mendegradasi hemoglobin selama fase
eritrosit di dalam vakuola makanan. Dewasa ini, industri farmasi telah berupaya
untuk mengembangkan agen terapetik yang dapat menyembuhkan penyakit
malaria melalui penemuan senyawa baru penghambat plasmepsin mengingat
adanya penyebaran strain yang resisten terhadap obat antimalaria. Namun, karena
biaya yang tinggi dan waktu yang lama, metode konvensional untuk penemuan
obat baru yang dilakukan secara in vivo dan in vitro sulit terealisasikan sehingga
para ilmuwan kemudian beralih kepada metode baru yaitu penapisan in silico.
Jenis penapisan in silico yang akan dilakukan dalam penelitian ini adalah
penapisan berbasis struktur dengan menggunakan Basis Data Tanaman Obat
Indonesia dan perangkat lunak GOLD. Berdasarkan penapisan ini, didapatkan
hasil 11 kandidat senyawa inhibitor yang diharapkan dapat dikembangkan sebagai
obat antimalaria. Senyawa tersebut yaitu Trimyristin; Cyanidin 3,5-di-(6-
malonylglucoside); Isoscutellarein 4?-methyl ether 8-(6?-n-butylglucuronide);
Cyanidin 3-(6?-malonylglucoside)-5-glucoside; Multifloroside; Delphinidin 3-(2-
rhamnosyl-6-malonylglucoside); Delphinidin 3-(6-malonylglucoside)-3?,5?-di-(6-
p-coumaroylglucoside); Cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside;
Kaempferol 3-glucosyl-(1-3)-rhamnosyl-(1-6)-galactoside; Sanggenofuran A; dan
Lycopene dengan kisaran GOLDScore dari 78,4647 sampai 98,2836. Dua
kandidat di antaranya berikatan dengan seluruh residu dari sisi katalitik
plasmepsin yaitu Asp34 dan Asp214.

ABSTRACT
Malaria is one of diseases that annually emerge millions victim. Among the other
enzymes, plasmepsin is the main enzyme in plasmodium life cycle that degrades
hemoglobin during erythrocytic phase in food vacuole. Recently, pharmaceutical
industries have been trying to develop therapeutic agents that be able to cure
malaria through discovery of new plasmepsin inhibitor compounds, regarding to
the spread of drug-resistant strains for antimalarial. However, due to high cost and
long term, conventional methods for discovery of new drugs that were done in
vivo and in vitro were difficult to be realized so that the scientists then shift to the
new method called in silico screening. The chosen in silico screening method in
this experiment is structure-based screening by using GOLD software and
Indonesian Medicinal Plants Database. Based on the obtained results from this
screening, there are 11 inhibitor candidates which are expected to be developed as
antimalarial. These compounds are Trimyristin; Cyanidin 3,5-di-(6-
malonylglucoside); Isoscutellarein 4?-methyl ether 8-(6?-n-butylglucuronide);
Cyanidin 3-(6?-malonylglucoside)-5-glucoside; Multifloroside; Delphinidin 3-(2-
rhamnosyl-6-malonylglucoside); Delphinidin 3-(6-malonylglucoside)-3?,5?-di-(6-
p-coumaroylglucoside); Cyanidin 3-[6-(6-sinapylglucosyl)-2-xylosylgalactoside;
Kaempferol 3-glucosyl-(1-3)-rhamnosyl-(1-6)-galactoside; Sanggenofuran A; and
Lycopene with GOLDScore range from 78,4647 to 98,2836. Two of them bind
with all residues in catalytic site of plasmepsin which are Asp34 and Asp214.
"
Depok: Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Indonesia, 2012
S1819
UI - Skripsi Open  Universitas Indonesia Library
cover
Reina
"Tuberkulosis (TB) merupakan penyakit yang disebabkan oleh infeksi Mycobacterium tuberculosis (MTB). TB menular melalui udara dengan paru-paru sebagai target organ utama. Enzim beta-ketoacyl-Acyl Carrier Protein (ACP) synthase (KasA) berperan dalam biosintesis mycolic acid yang merupakan komponen pertahanan MTB. Thiolactomycin dipilih sebagai ligan inhibitor MTB. Penelitian ini bertujuan untuk menentukan struktur ligan hasil Fragment Based-Design yang memiliki potensi sebagai inhibitor enzim KasA pada MTB, memaparkan interaksi antara enzim KasA dengan ligan hasil modifikasi, dan menjelaskan proses farmakokinetika yang meliputi proses Absorpsi, Distribusi, Metabolisme, dan Ekskresi (ADME) maupun toksisitas pada ligan hasil modifikasi. Enzim didapatkan dari situs Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) dan ligan thiolactomycin dari situs PubChem. Penapisan sifat druglikeness terhadap ligan dilakukan melalui perangkat lunak OSIRIS DataWarrior. Perangkat lunak Molecular Operating Environment (MOE) 2014.09 digunakan untuk penapisan senyawa, penambatan molekul, dan modifikasi scaffold replacement terhadap thiolactomycin. Penambatan molekul dilakukan dengan metode penapisan virtual, rigid docking, dan induced-fit docking. Analisis terhada sifat ADMET dilakukan pada perangkat lunak OSIRIS DataWarrior dan Toxtree maupun situs pkCSM. Penelitian ini membuktikan bahwa senyawa hasil fragment-based design mampu menginhibisi enzim KasA didasarkan pada lima ligan terbaik dengan nilai RMSD, perubahan energi bebas Gibbs, dan pKi. Interaksi antara enzim KasA dengan ligan hasil fragment-based design terjadi pada asam amino Met213 dan Arg214. Selain itu, didapatkan senyawa 3063 dan 953 dengan sifat farmakologi terbaik.

Tuberculosis (TB) is a disease caused by infection of Mycobacterium tuberculosis (MTB). TB spreads via air transmission with lung as its primary target. beta-ketoacyl-Acyl Carrier Protein (ACP) synthase (KasA) enzyme acts in mycolic acid biosynthesis, which has a significant role in MTB virulence. Thiolactomycin was chosen as MTB ligand inhibitor. This research aims to define fragment-based design ligand structure that has a potential as KasA enzyme in MTB, define the interaction between KasA enzyme and modified enzyme, and describe pharmacokinetics process including Adsorption, Distribution, Metabolism, and Excretion as well as toxicity of the modified ligand. KasA enzyme was obtained from Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) and thiolactomycin ligand was downloaded from PubChem. Screening of ligand druglikeness was done using OSIRIS DataWarrior. Molecular Operating Environment (MOE) 2014.09 software was operated to screen, dock, and run scaffold replacement towards thiolactomycin. Molecular docking methods used were virtual screening, rigid docking, and induced-fit docking. ADMET analysis was done using OSIRIS DataWarrior and Toxtree software as well as pkCSM site. This research has proven that fragment-based design compounds were able to inhibit KasA enzyme based on the RMSD value, change of Gibbs free energy binding, and pKi of five best ligands. Interaction between KasA enzyme and fragment-based design ligand occurred in Met213 and Arg214 amino acids. Meanwhile, compound 3063 and 953 were considered as best pharmacological compounds."
Depok: Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Indonesia, 2022
S-pdf
UI - Skripsi Membership  Universitas Indonesia Library
cover
Antonius Julio Falian
"Malaria merupakan salah satu penyakit yang sering terjadi di negara tropis dan subtropis. Penyakit malaria banyak terjadi di sebagian besar wilayah Indonesia, seperti Irian Jaya, Nusa Tenggara Barat (NTB) dan Nusa Tenggara Timur (NTT). Berdasarkan data terakhir WHO pada tahun 2013, tercatat sebanyak 198 juta kasus malaria di seluruh dunia, dengan jumlah kematian sebanyak 584.000 jiwa. Pengobatan yang pernah ada untuk jenis malaria Plasmodium falciparum adalah klorokuin, sulfadoksin - pirimetamin, kinin, meflokuin dan artemisinin. Akan tetapi, meningkatnya resistensi parasit pada obat antimalaria, melemahkan upaya pengendalian malaria. Penambatan molekuler sebagai salah satu metode pendekatan in silico telah digunakan pada pencarian senyawa berkhasiat untuk menangani malaria. Dalam satu dekade terakhir, diketahui bahwa senyawa turunan kurkumin memiliki efek sinergis dengan artemisinin terhadap Plasmodium berghei secara in vivo. Pada penelitian ini, dilakukan penambatan molekuler senyawa turunan kurkumin baru terhadap enzim target antimalaria. Penambatan dilakukan menggunakan piranti lunak AutoDock. Berdasarkan hasil penambatan, didapatkan senyawa terbaik yang berpotensi sebagai obat antimalaria baru, yang dapat menyerang di sisi aktif tertentu dari Plasmodium falciparum, yaitu : 1,4-dihidrodiazepin-6-morfolinometil kurkumin pada enzim PfDHFR dan Pirimidin-2-on-5-morfolinometil kurkumin pada enzim PfDHODH.

Malaria is a disease that often occurs in tropical and subtropical countries. Prevalent of malaria in most parts of Indonesia, such as Irian Jaya, West Nusa Tenggara (NTB) and East Nusa Tenggara (NTT). Based on the WHO's last data in 2013, there were 198 million cases of malaria worldwide, with the number of deaths by 584,000 inhabitants. Treatment for this type of Plasmodium falciparum malaria is chloroquine, sulfadoxine - pyrimethamine, quinine, mefloquine and artemisinin. However, increasing parasite resistance to the antimalarial drug, making malaria control efforts become effortless. Molecular docking as one method in silico approaches have been used in the search for efficacious compounds addressing malaria. In the last decade, it is known that the compound curcumin analogues have synergistic effect with artemisinin against Plasmodium berghei in vivo. In this study, we employed docking of new molecular compounds curcumin derivates as antimalarial target enzymes. Molecular docking is performed using Autodock. Based on the docking result, best compound is obtained as a potential new antimalarial drug, which can be attacked in certain active side of Plasmodium falciparum, which is 1,4-dihydrodiazepin-6-morpholinomethyl curcumin on PfDHFR enzyme dan Pyrimidin-2-one-5-morpholinomethyl curcumin on PfDHODH enzyme.
"
Depok: Fakultas Farmasi Universitas Indonesia, 2015
S60580
UI - Skripsi Membership  Universitas Indonesia Library
<<   1 2 3 4 5 6 7 8 9 10   >>