Title : Molecular interactions of chlorpyrifos and its environmental degradation products with human sex hormone-binding globulin: an in silico study.

Pub. Date : 2019 Jul

PMID : 30815923






3 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 The objective of the present study involved computational approaches to apprehend the mechanism of molecular interaction of CPF and its four degradation products (CPYO, DEC, TMP, TCP) with human SHBG using molecular docking simulation. 3,5,6-trichloro-2-pyridinol sex hormone binding globulin Homo sapiens
2 All five compounds (CPF, CPYO, DEC, TMP, TCP) showed high binding affinity with SHBG; however, the binding affinity values were higher (more negative) for CPF, CPYO, DEC and TMP than for TCP indicating that CPF, CPYO, DEC and TMP formed a tight interaction with SHBG. 3,5,6-trichloro-2-pyridinol sex hormone binding globulin Homo sapiens
3 All five compounds (CPF, CPYO, DEC, TMP, TCP) showed high binding affinity with SHBG; however, the binding affinity values were higher (more negative) for CPF, CPYO, DEC and TMP than for TCP indicating that CPF, CPYO, DEC and TMP formed a tight interaction with SHBG. 3,5,6-trichloro-2-pyridinol sex hormone binding globulin Homo sapiens