Matrix augmentation as an efficient method for resolving interaction of bromocriptine with human serum albumin: trouble shooting and simultaneous resolution.

ABSTRACT: This work reports the results of an interesting study related to the investigation of interactions of bromocriptine (BCP) with human serum albumin (HSA) by mathematicall modelling of voltammetric and spectroscopic data into an augmented data matrix and its resolution by multivariate curve resolution-alternating least squares (MCR-ALS). The quality of the results obtained by MCR-ALS was examined by MCR-BANDS and its outputs confirmed the absence of rotational ambiguities in the MCR-ALS results. BCP-HSA interactions were also modeled by molecular docking methods to verify the results obtained from experimental sections and fortunately, they were compatible. Hard modeling of the experimental data by EQUISPEC helped us to calculate the binding constant of the complex formed from BCP-HSA intera

SUBMITTER: Jalalvand AR 

PROVIDER: S-EPMC6667702 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature