Docking Molekular Potensi Anti Diabetes Melitus Tipe 2 Turunan Zerumbon Sebagai  Inhibitor Aldosa Reduktase Dengan Autodock-Vina

Saputri, Karisma Enggar; Fakhmi, Nurul; Kusumaningtyas, Erwinda; Priyatama, Dedy; Santoso, Broto

doi:10.24198/cna.v4.n1.10443

Cited by 34 publications

(30 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Based on the results of molecular docking using PyRx 0.8 application, the antimicrobial compounds produced by Bacillus brevis and Bacillus choshinensis can react and inhibit the work of several receptors related to pathogenic bacteria, seen from the relatively small binding affinity value (Table 4). According to Saputri et al (2016), binding affinity is a measure of a compound's ability to bind to a receptor. The smaller the binding affinity value, the higher the affinity between receptors and ligands and vice versa (Eyler 2019).…”

Section: In Silico Testmentioning

confidence: 99%

Antibacterial activity of bacteria isolated from earthworm (Pheretima sp.) gut against Salmonella typhi and Staphylococcus aureus: in vitro experiments supported by computational docking

2022

View full text Add to dashboard Cite

Abstract. Husain DR, Wardhani R, Erviani AE. 2022. Antibacterial activity of bacteria isolated from earthworm (Pheretimasp.) gut against Salmonella typhiand Staphylococcus aureus: in vitro experiments supported by computational docking. Biodiversitas 23: 1125-1131. Bacteria have a diverse ecology niche as the effect of a long evolutionary process. They can live along with other organisms as endosymbiont. Research into endosymbiont bacteria began because of their ability to increase host resistance, especially to pathogens. This study aimed to determine the antimicrobial ability of endosymbiont bacterial isolates of earthworms Pheretimasp., Bacillus brevis, and Bacillus choshinensis that inhabit Pheretimasp. were isolated.The isolates were grown on tryptic soy broth media for 24 hours. The isolates were then purified using tryptic soy agar and biochemically tested to ensure both isolates are endosymbiotic bacteria. Antimicrobial activity was tested using agar diffusion methods in pathogenic bacteria, Staphylococcus aureus, and Salmonella typhi. Amoxicillin and chloramphenicol were used as positive controls. The inhibitory test results showed that incubation for 15 days effectively assessed pathogenic bacteria growth inhibition, marked by the largest inhibition zone (21.32 mm for Salmonella typhi and 16.88 mm for Staphylococcus aureus). They were very effective at inhibiting Salmonella typhiand Staphylococcus aureus growths.Endosymbiotic compounds’ had a potential as antimicrobial. The in silico test supports the inhibitory test, which concluded that endosymbiont isolates can be an antimicrobial characterized by low-binding affinity values (-8,6 on tyrocidine) on molecular docking analysis.

show abstract

Section: In Silico Testmentioning

confidence: 99%

Antibacterial activity of bacteria isolated from earthworm (Pheretima sp.) gut against Salmonella typhi and Staphylococcus aureus: in vitro experiments supported by computational docking

2022

View full text Add to dashboard Cite

show abstract

“…Binding affinity merupakan ukuran kemampuan obat untuk berikatan dengan reseptor. Semakin kecil nilai binding affinity maka, afinitas antara reseptor dengan ligan semakin tinggi begitu pula sebaliknya jika semakin besar nilai binding affinity maka afinitas antara reseptor semakin rendah [20]. Senyawa 1,3-Di-O-acetylpentopyranose memiliki potensi sebagai antiobesitas karena memiliki binding affinity terendah dan membentuk ikatan hidrogen pada residu asam amino lipase pankreas yaitu Phe 77, Asp 79, Ser 152 dan Arg 256.…”

Section: Pembahasanunclassified

Analisis Molecular Docking Senyawa dari Jamur Endofit Bawang Dayak (Eleutherine bulbosa) Sebagai Inhibitor Lipase Pankreas

Naibaho¹,

Putra²,

Panjaitan4³

et al. 2022

BIOSCIENCE TROP

View full text Add to dashboard Cite

Nowadays some efforts are being made to reduce obesity by using drugs that aim to reduce appetite of the drug users. However, the use of drugs still has harmful side effects. Endophytic fungi originating from the Dayak onion plant are thought to have secondary metabolites that have potential as anti-obesity. The aims of this study were to determine the compounds produced by endophytic fungi of Dayak onion and to determine the potential components as inhibitors of pancreatic lipase enzymes. Samples of Dayak onions were collected from Palangka Raya using purposive sampling method. Isolation of endophytic fungi was conducted using surface sterilization method and the isolates were grown on PDA. Isolates were characterized and fermented on PDB for 14 days. The selected isolate was analyzed by using GCMS then molecular docking was performed using Autodock Vina and PyRx. The research results showed that there were 7 isolates of endophytic fungi isolated from leaves and roots tissues of Dayak onion. GCMS analysis showed that EBD1 contains 38 compounds. Molecular docking analysis showed that 1,3-Di-O-Acetylpentopyranose, a test ligand, has the closest binding affinity value (-6.6 kcal/mol) to orlistat (control) (-6.8 kcal/mol). Thus, it has the potential as an inhibitor of pancreatic lipase enzyme protein.

show abstract

“…Nilai RMSD (Root Mean Square Deviation) merupakan parameter dalam validasi molecular docking. Nilai RMSD menunjukkan perbandingan konformasi ligan asli dengan redocking dan konformasi ligan asli dengan pengukuran kristalografi (Saputri et al, 2016). Hasil validasi dikatakan memenuhi syarat jika nilai RMSD < 2,0 Amstrong (Yanuar, 2012).…”

Section: Hasil Dan Pembahasanunclassified

STUDI IN SILICO SENYAWAhMETABOLIThSEKUNDER DAUN SIRIH HIJAU (Piper betle L) SEBAGAI INHIBITOR ENZIM MAINhPROTEASE (Mpro) PADA SARS-CoV-2

Naja¹,

Andika²,

Mi’rajunnisa³

2022

View full text Add to dashboard Cite

Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) adalah virus penyebab COVID-19. Salah satu target potensial untuk pengobatan SARS-CoV-2 ialah Main protease (Mpro). Daun sirih hijau (Piper betle L.) adalah tanaman yang terbukti secara ilmiah mempunyai efek sebagai antibakteri dan antivirus. Bagian dari tanaman sirih (Piper betle L.) seperti akar, biji, dan daun bermanfaat untuk pengobatan, tetapi yang paling umum digunakan adalah bagian daun. Tujuan penelitian ini ialah untuk mengetahui potensi dan interaksi senyawa metabolit sekunder daun sirih hijau sebagai antivirus penghambat Mpro pada SARS-CoV-2 dengan protein ID: 5R84 menggunakan uji penambatan molekul. Pengujian ini meliputi penambatan molekul, pengujian Lipinski dan prediksi ADMET. Metode yang digunakan berbasis oriented docking dengan kompleks protein ligand dibuat semi fleksible docking menggunakan software Autodock4. Hasil secara keseluruhan diperoleh dua puluh lima senyawa uji dari metabolit sekunder daun sirih hijau berpotensi sebagai penghambat Mpro dan senyawa uji yang mempunyai nilai energi binding (energi ikat bebas (?G)) terbaik yang berasal dari Piperine sebesar - 8,27..kcal/mol, disusul oleh Piperlonguminine sebesar..-8,07..kcal/mol serta Kaempferol - 7,95..kcal/mol. Piperine sendiri diprediksi memiliki absorbsi yang bagus, distribusi pada VDss tinggi, tetapi bukan subtrat dan inhibitor dari CYP 450, memiliki total klerens yang tinggi, berpotensi menimbulkan iritasi pada kulit dan toksik pada uji protozoa T.pyriformis. Residu asam amino HIS 41, MET 49, PHE 140, HIS 163, MET 165, GLU 166, ASN 142, ARG 188, dan GLN 189 banyak berkontibusi terbentuk ikatan hydrogen.

show abstract

Docking Molekular Potensi Anti Diabetes Melitus Tipe 2 Turunan Zerumbon Sebagai Inhibitor Aldosa Reduktase Dengan Autodock-Vina

Cited by 34 publications

References 0 publications

Antibacterial activity of bacteria isolated from earthworm (Pheretima sp.) gut against Salmonella typhi and Staphylococcus aureus: in vitro experiments supported by computational docking

Antibacterial activity of bacteria isolated from earthworm (Pheretima sp.) gut against Salmonella typhi and Staphylococcus aureus: in vitro experiments supported by computational docking

Analisis Molecular Docking Senyawa dari Jamur Endofit Bawang Dayak (Eleutherine bulbosa) Sebagai Inhibitor Lipase Pankreas

STUDI IN SILICO SENYAWAhMETABOLIThSEKUNDER DAUN SIRIH HIJAU (Piper betle L) SEBAGAI INHIBITOR ENZIM MAINhPROTEASE (Mpro) PADA SARS-CoV-2

Contact Info

Product

Resources

About