A COMPUTATIONAL INVESTIGATION INTO THE STRUCTURE, TOXICITY, AND RADIATION EFFECT OF GALLIUM-68 DOTA ETHAMBUTOL

Abstract

Indonesia ranks second globally in tuberculosis (TB) cases, with 11% being extra pulmonary tuberculosis. BATAN develop drug to diagnostic extra pulmonary tuberculosis using ^99mTc-Ethambutol which has disadvantages in imagine result. Hence, this study explores the potential of ⁶⁸Ga-DOTA-Ethambutol for improved the detection result. Previous computational studies indicated promising synthesis feasibility and interaction with TB receptors. Subsequent, computational investigations assessed structure and toxicity impact using ADMET Lab 2.0 and radiation effects using Monte Carlo simulation on PHITS 3.31. ⁶⁸Ga-DOTA-Ethambutol demonstrates convince interactions with receptors, although with lower absorption rates due to its bulky molecular structure. ⁶⁸Ga-DOTA-Ethambutol was not causing eye irritation, carcinogenicity, mutagenesis and acute toxicity on rat. Radiation shielding experiments demonstrated a minimal impact, with Pb shielding effectively reducing radiation exposure from 1.58 to 0.11 µSv/h on 1 meter distance from source. In conclusion, Simulation results suggested that ⁶⁸Ga-DOTA-Ethambutol below safety thresholds for workers. Furthermore, this study should be a lead document for further laboratory synthesis.