In silico studies of piperazine derivatives as potent anti-proliferative agents against PC-3 prostate cancer cell lines.

ABSTRACT: Quantitative Structure Activity Relationship studies were carried out on arylpiperazine derivatives to investigate their anti-proliferate activity against prostate PC-3 cancer cell lines. The built model with statistical parameters; R2 = 0.8483, R2 adj = 0.8078, Q2 cv = 0.7122 and external validation (R2 test) 0.6682 revealed that the anti-proliferate activities were strongly dependent on the descriptors: MATS7c, MATS3e, maxwHBa and WPSA-3. The Variance Inflation Factor of the descriptors were all greater than one but less than two and all descriptors were poorly correlated (r < 0.4). A graph of the experimental activities and predicted activities showed a high correlation and a William's plot showed the presence of only one outlier compound. These results are similar to those reported for

SUBMITTER: Ikwu FA 

PROVIDER: S-EPMC6992985 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature