Paper Title
Computational Assessment of The Pharmacokinetic Profiles and Environmental Effects of Poly L-Lactate, Poly(3-Hydroxybutyrate) and Poly(3-Hydroxyvalerate) Oligomers

Abstract
Poly L-lactate (PLLA), poly(3-hydroxybutyrate) (PHB) and poly(3-hydroxyvalerate) (PHV) are natural polymers frequently used as excipients in drug delivery systems supporting specific targeting and controlled release of drugs. We have used different computational tools (admetSAR, SwissADME, Toxtree, Endocrine Disruptome) in order to assess the pharmacokinetic profiles and toxicological endpoints PLLA, PHB and PHV oligomers. The outcomes reveal that these oligomers reflect a high gastrointestinal absorption and weak cardiotoxicity, do not inhibit the human cytochromes involved in xenobiotics metabolization and do not have mutagen potential. Their endocrine disruption potential is reduced, usually they reflect a moderate antagonistic effect on the human androgen receptor. For the reason that a sustainable society is based on environmentally safe materials, we also assess the environmental effects PLLA, PHB and PHV oligomers. According to our findings, the investigated oligomers reflect biodegradability and low toxicity against aqueous environment (Tetrahymena pyriformis test), fish and honey bee. Similarly with the aqueous solubility, the degree of toxicity slightly decreases with increasing molecular weight. Acknowledgements: This work was supported by the grant PN3-P3-285, Polymeric NanoBioMaterials for drug delivery: developing and implementation of safe-by-design concept enabling safe healthcare solutions.