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Abstrak :
Penyakit tuberkulosis (TB) merupakan penyakit mudah menular yang disebabkan oleh bakteri Mycobacterium Tuberkulosis (MTB) yang merupakan patogen paru-paru yang juga dapat menyebar ke seluruh bagian tubuh. Penelitian ini bertujuan untuk memperoleh senyawa obat TB yang akan menyerang protein Topoisomerase I pada mtb, menggunakan inhibitor senyawa peptida siklis. Protein Topoisomerase I dijadikan sebagai target obat dalam penelitian ini, karena fungsinya yang penting dalam mengurangi masalah topologi DNA pada mtb. Struktur 3D Topoisomerase I mtb diunduh dari Protein Data Bank (PDB). Senyawa peptida siklis dan standar yang digunakan pada penelitian ini diperoleh dari data base PubChem. Proses simulasi penambatan molekul dilakukan menggunakan perangkat lunak Molecular Operating Environment (MOE). Proses simulasi penambatan molekul dilakukan dengan menggunakan protokol rigid dan fleksibel. Proses ini menghasilkan 21 ligan peptida siklis terbaik yang memiliki energi ikat bebas negatif. Dari hasil penelitian, didapatkan ligan Cochinmicin I sebagai kandidat obat terbaik, karena memiliki sifat ADME, toksisitas dan sifat kimia obat yang paling baik. ......Tuberculosis (TB) is a contagious disease caused by the bacteria Mycobacterium Tuberculosis (MTB), which is a lung pathogen that can also spread to all parts of the body. This study aims to obtain TB drug compounds that will attack the Topoisomerase I protein on MTB, using a cyclic peptide compound inhibitor. Topoisomerase I protein was used as a drug target in this study, because of its important function in reducing DNA topological problems in MTB. The 3D Topoisomerase I MTB structure was downloaded from the Protein Data Bank (PDB). The cyclic peptide compounds and standards used in this study were obtained from the PubChem database. The molecular docking simulation process is carried out using Molecular Operating Environment (MOE) software. The molecular docking simulation process is carried out using a rigid and flexible protocol. This process produces the best 21 cyclic peptide ligands which have negative free binding energy. From the research results, it was found that the Cochinmicin I ligand was the best drug candidate because it had the best ADME properties, toxicity and chemical properties of the drug.

Abstrak :
DNA topoisomerases represent an essential family of DNA processing enzymes and a large number of topoisomerase inhibitors are used clinically for the treatment of various human cancers. Novels drugs are in clinical development both against type I and type II topoisomerases. The book will include basic biochemical and structural reviews for the cancer-relevant topoisomerases. It will describe how topoisomerase dysfunctions can damage the genome and increase the risk of cancers, and the involvement of topoisomerases in programmed cell death. The book will also present the various topoisomerase inhibitors in clinical use and development and their molecular and cellular mechanisms of action.