Human – Environment QSAR Studies of Radioactive Chemicals by Online Prediction Websites

Abstract

Diagnosis, therapy, and research – development are main targets in radioactive materials issues that took huge places in medical sector of radio-molecular imaging and nuclear medicine where adsorbed radionuclide by the target(s) with high selectivity and minimum duration management compared to chemotherapy. In this study, three online websites created by various scientific groups in Baker Institute, university of Queensland, and School of Computing and Information Systems, University of Melbourne as a computed base to predict toxicity of various radiopharmaceuticals having Sm-153; Ga-68; F-18; Hg-197; I-131; I-123; Tc-99m: In-111, or Se-75. Prediction of forty – five radio-chemicals targeted embryo, cardio-: Arrhythmia, heart block, Cardiac Failure, hERG, Myocardial Infarction, and hypertension. Herbicidal activity and environmental safety represented by Honey Bee, Avian, Minnow, as well as human toxicity that include Ames, rat acute (LD₅₀) and chronic (LOAEL) toxicities were additionally evaluated by these three online websites. Here first Iraqi attempt showed that these tested materials had a toxic site to one or more of human (embryo or pregnant mother), cardio- (Arrhythmia, Cardiac Failure, Heart Block, hERG, Hypertension, or Myocardial Infarction) or rat acute (LD₅₀) – chronic (LOAEL), as well as environment (honey, avian, Minnow) characters. Samarium-153 Lexidronam gave a safe in Silico toxicological response to embryo (and pregnant mother), all tested cardio-, honey, and avian. Also, it showed a low number towards Minnow and rat chronic (LOAEL) toxicities. In the same manner, Selenomethionine - 75Se derivative was highly unsafe to embryo (and mother) beside toxic effect in Arrhythmia case. In comparison to Sm-153, Se-75, as a corresponding radio – compound of the naturally amino acid found in soybeans and nuts, had lower Minnow and rat chronic toxicological values but not LD₅₀. So, both radiopharmaceuticals were structurally toxic especially in high concentration and repeated uptake by human or other species.