STUDI IN SILICO SENYAWA BRAZILIN SEBAGAI ANTI TUBERKULOSIS

AREGA PRAMANA, - (2023) STUDI IN SILICO SENYAWA BRAZILIN SEBAGAI ANTI TUBERKULOSIS. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.

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Abstract

Berbagai senyawa alam telah dilaporkan dapat digunakan sebagai anti tuberkulosis namun demikian mekanisme aksinya belum dapat ditentukan secara jelas, salah satunya adalah dari tanaman kayu secang (Caesalpina sappan L.). Tanaman ini mengandung senyawa marker yaitu Brazilin yang dilaporkan memiliki potensi kandidat anti tuberkulosis. Tujuan dari penelitian ini, memberikan informasi mengenai aktivitas, potensi, dan afinitas senyawa Brazilin terhadap target pengobatan anti tuberkulosis, yaitu reseptor Dihydropteroate Synthase, Dihidrofolat reduktase (DHFR), Diphydrofolate reductase, Polyketide Synthase 13, dan InhA secara in-silico menggunakan metode PLANTS 1.1. Nilai RMSD masing masing ref_ligand terhadap target memberikan nilai dibawah 2Å, sehingga menunjukkan bahwa metode yang dilakukan telah valid. Hasil molecular docking antara senyawa Brazilin dan Dihydrofolate reductase menunjukkan nilai skor docking lebih rendah dibandingkan dengan ref-ligand yaitu, -85,1438 untuk brazilin dan -84,5783 untuk ref-ligand. Hal ini menunjukkan brazilin memiliki afinitas terbaik terhadap Dihydrofolate reductase dan dapat dikatakan sebagai kandidat antituberculosis. --- Various natural compounds have been reported to be used as anti-tuberculosis but the mechanism of action has not been clearly determined, one of which is from the secang wood plant (Caesalpina sappan L.). This plant contains a marker compound, Brazilin, which is reported to have a potential anti-TB candidate. The purpose of this study is to provide information on the activity, potency, and affinity of Brazilian compounds to anti-TB treatment targets, namely Dihydropteroate Synthase, Phosphorylase (PNP), Diphydrofolate reductase, Polyketide Synthase 13, and InhA receptors in-silico using the PLANTS 1.1 method. The RMSD value of each ref_ligand against the target gives a value below 2Å, thus indicating that the method performed is valid. The results of molecular docking between brazilin compounds and dihydrofolate reductase showed lower docking score values compared to ref-ligands, -85.1438 for brazilin and -84.5783 for ref-ligands. This shows brazilin has the best affinity for Dihydrofolate reductase and can be said to be an antituberculosis candidate.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Kayu secang, brazilin, anti-tuberkulosis, in-silico, PLANTS Secang wood, brazilin, antituberculosis, in-silico, PLANTS
Subjects:	R Medicine > R Medicine (General) R Medicine > RM Therapeutics. Pharmacology
Divisions:	Program Studi S1 Farmasi
Depositing User:	pustakawan - -
Date Deposited:	20 Jun 2024 01:53
Last Modified:	20 Jun 2024 01:53
URI:	http://repository.stfi.ac.id/id/eprint/241

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