DNA Damage prevention by the use of Computational Designed Microlpastics adsorbing Chemicals

Abstract

 Background: Cancer development is driven by uncontrolled cellular proliferation
resulting from the accumulation of genetic mutations. One of the most well-studied
mechanisms behind these mutations is DNA damage. Cellular DNA is under
constant threat of damage by exogenous and endogenous sources. Microplastics are
one of these exogenous sources and characterized by their small size and high
surface-area-to-volume ratio, have the ability to interact strongly with biological
systems, leading to cytotoxicity, cell damage, and DNA mutations that increase
cancer risk. Microplastics uptake and subsequent bioaccumulation in the human
body are increasingly considered to negatively impact the body’s usual mechanisms
of damage repair, with resultant increases in apoptosis, necrosis, inflammation,
oxidative stress, and aberrant immune responses.
Objective: Design a compound for the efficient absorption of microplastics by the use
of PubChem, Avogadro, PyMOL, and SWISSADME.
Methods: A general approach to designing such a compound include: 1. Targeting
and Binding Microplastics. 2. Biocompatibility. 3. Efficient Elimination. 4. Delivery
Mechanism.
Results: We found that modified chitosan could be the best compounds for
microplastics adsorption from human body. PubChem was used to obtain the
Chitosan chemical structure (C56H103N9O39) M.wt: 1526.5 g/mol. Avogadro was used
for Chitosan fragmentation in to smaller pieces to increase solubility, permeability
through cellular membrane and enhance activity. PyMOL was used to check out the
3D structure and its functional groups. SWISSADME was applied to analyze GI
absorption, skin permeation, bioavailability, and the level of compliance with
Lipinski rules of 5.
Conclusion: This research highlights the potential of chitosan-based compounds as a
prevention strategy for mitigating microplastic-induced carcinogenesis.