Quantitative Structure Activity Relationship (QSAR) Analysis on Substituted Pyrimidine Derivatives as Corticotropin-Releasing Factor1 Receptor Antagonists

The corticotropin-freeing determinant 1 receptor (CRF1R) adversary is secondhand in the situation of inmates bearing tension, concavity and stress-connected affecting animate nerve organs disorders. Various pyrimidine products stated as CRF1R antagonists were picked for Quantitative construction action friendship (QSAR) reasoning so that learn all-inclusive connection betwixt organic endeavor and differing descriptors acting as an agent physicochemical and topological possessions of the fragments. Significant mathematical model was create utilizing Multiple Linear Regression (MLR) procedure bearing greater forecasting advantage (predicted_r2= 0.7708). The grown MLR model tells that the title 4PathCount plays most influential duty (59%) in deciding CRF1R foe exercise while T_C_S_7 and SsssCHE-index have 24% and 18% gift, individually. Absorption, disposal, absorption, exudation, toxicity (ADMET) characteristics, drug photograph and drug score were further computed. The compounds 1a, 1b, 8d, and 9e have inferior hepatotoxicity and mutagenicity. The compounds 6a and 8a have good pharmacokinetics possessions; secondary toxicity and good Drug image (DL) score, suggesting they can be drug-like compounds.

Author(s) Details:

Sanmati Kumar Jain,
Drug Discovery and Research Laboratory, Department of Pharmacy, Guru GhasidasVishwavidyalaya (A Central University), Bilaspur, Chhattisgarh- 495009, India.

Ajay Kumar Gupta,
Drug Discovery and Research Laboratory, Department of Pharmacy, Guru GhasidasVishwavidyalaya (A Central University), Bilaspur, Chhattisgarh- 495009, India.

Sanjay Kumar Lanjhiyana,
Drug Discovery and Research Laboratory, Department of Pharmacy, Guru GhasidasVishwavidyalaya (A Central University), Bilaspur, Chhattisgarh- 495009, India.

Please see the link here: https://stm.bookpi.org/CAPR-V9/article/view/8676

Keywords: QSAR, Multiple Linear Regression (MLR), Corticotropin-Releasing Factor1 (CRF) receptor antagonists, Substituted pyrimidine derivatives

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