Ecology, Environment and Conservation Paper

THE EFFECTS OF FORMALIN (FORMYL TETRAHYDROFOLATE) ONCDK1 PROTEIN ON THE OOCYTE MATURATION PROCESS:QUANTITATIVE STRUCTURE TOXICITY RELAIONSHIPS (QSAR)IN SILICO ANALYSIS

Lutvia Krismayanti, Widjiati, Bambang Purwantoand Dwi Krihariyani

Abstract

Formalin is an aqueous solution of formaldehyde. Formalin can trigger the formation of ROS causingoxidative stress, and has an impact on changes in theCDK1 protein which has a role in oocyte maturation.The researchers were able to predict in silico mutagenicityand formyl tetrahydrofolate toxicity to CDK1protein in oocyte cell maturation using the Molegro VirtualDocker computer program and the comparisoncompound fipronil. The receptor CDK1/CyclinB1/CKS2,code PDB: 4Y72, was used with the LZ9 ligand.Using the pkCSM online tool program, investigate in silicoqualitative structure activity relationships (QSAR)to predict pharmacokinetic properties (ADME), toxicity ofpotential medicinal compounds, environmentalcontaminants, and poisons. The bond energy resulting from docking between formalin, LZ9 ligand, andfipronil comparators at the target receptor was compared for data analysis. The more stable the bonds are,the lower the bond energy of the ligands to the target receptor. The bond energy of formalin = -130.832kcal/mol, ligand LZ9 301 [A] = -120.118kcal/mol, and fipronil = -101.069 kcal/mol, according to the in silico testresults. Formalin has the ability to increase ROS production and affect CDK1 protein more than LZ9 andfipronil ligands, according to the above test results. Thefindings of the in silico test utilizing the pkCSMonline tool software demonstrate that formyl tetrahydrofolate molecules are hazardous and quicklyenterand absorb into the human body.