Advances in Structure–Activity Relationship Studies on Potassium Channel Modulators - Ion Channels and Their Inhibitors - page 242

prototypes. Also, attempts were made to analyze the scope of these and other ion
channel modulators in addressing the challenges faced in the chemotherapy of
various diseases.

Keywords Potassium ion channel modulators • QSAR • Molecular modeling •
Benzodiazepine • Benzopyrans • Benzothiazine • Benzothiadiazine • Khellinone
derivatives • Benzotriazoles • Benzimidazolones • Benzanilides

Abbreviations

3D-MoRSE 3D Molecule representation of structures based on elec-

tron diffraction

ABC ATP-binding cassette

ADMET Absorption, distribution, metabolism, elimination and

toxicity

ATP Adenosine triphosphate

Big K + -channels BK-channels

CFTR Cystic fibrosis transmembrane conductance regulator

CODESSA Comprehensive descriptors for structural and statistical

analysis

CoMSIA Comparative molecular similarity analysis

CP-MLR Combinatorial protocol in multiple linear regression

EC 50 Half maximal effective concentration

G/PLS Genetic partial least squares

GFA Genetic function approximation

GRIND Grid-independent descriptors

hERG Human ether-`-go-go-related gene

HOMO Highest occupied molecular orbital

IC 50 Half maximal inhibitory concentration

I K Cardiac rectifier potassium ion current

I Kr Rapidly activating ion current

I Ks Slowly activating ion current

ATP-sensitive K + -channel

KATP

Inwardly rectifying K + -channel K ir /IRK

Voltage-gated K + -channel Kv

LUMO Lowest unoccupied molecular orbital

MLR Multiple linear regression

MOPAC Molecular orbital partial atomic charge

PCA Principal component analysis

Potassium (K + )-channel opener PCO

PCR Principle components in multiple linear regression

PLS Partial least square

QSAR Quantitative structure-activity relationship