DESIGN, IN-SILICO DOCKING AND PREDICTIVE ADME PROPERTIES OF NOVEL PYRAZOLINE DERIVATIVES WITH SELECTIVE HUMAN MAO INHIBITORY ACTIVITY
Journal Title: International Journal of Pharmacy and Pharmaceutical Sciences - Year 2015, Vol 7, Issue 12
Abstract
Objectives: Curcumin, a known hMAO-A (human Monoamine oxidase-A) inhibitor from Curcuma longa has never been recognized for this property due to its poor permeability and extensive metabolism. Thus, the main objective of this study is to incorporate structural features of Curcumin in the pyrazoline scaffold as an attempt to get potent, selective hMAO-isoform inhibitors with improved permeability.Methods: A series of twelve novel 4, 4'-(4, 5-dihydro-1H-pyrazole-3,5-diyl)bis(2-methoxyphenol) derivatives (1-12) were designed based on the structure of Curcumin. All the designed compounds were evaluated for their hMAO inhibitory activity by in-silico docking studies (Autodock4.20). The both isomers (R-and S-isomer) are considered for simulation approach to understand the effect of chirality and other structural features that determine the potency and selectivity. In order to judge the pharmacokinetic behavior, all the derivatives were evaluated for their in-silico ADME properties by using Qik Prop v 3.0.Results: The results of the present study showed that all the designed compounds were found to be potent and selective hMAO-isoform inhibitors, and exhibited lead like properties from the calculated ADME parameters. Curcumin was taken as a standard for comparison to judge any improvement in permeability.Conclusion: The design strategy adopted has predicted improved potency, selective towards hMAO-isoform and permeability characteristics in comparison with Curcumin.Â
Authors and Affiliations
Vishnu Nayak Badavath, Barij Nayan Sinha, Venkatesan Jayaprakash
Keywords
Related Articles
- EP ID EP578070
- DOI -
- Views 59
- Downloads 0
STANDARDIZATION OF FRIABLE CALLUS DEVELOPMENT IN CATHARANTHUS ROSEUS (LINN.) G. DON
Objective: The objective of the study was to develop an effective hormonal combination for the maximum growth of callus and development of friable calli using the same medium with reduced concentration of agar.Methods: T...
DECREASE OF LIVER FUNCTION AFTER TREATMENT OF ANTITUBERCULOSIS DRUGS IN TUBERCULOSIS PATIENTS WITH MALNUTRITION AND ALCOHOL CONSUMPTION
Objective: To evaluate the decrease of liver function after treatment of antituberculosis drugs-fixed doses combination (ATD-FDC) category 1 in tuberculosis patients with malnutrition and alcohol consumption.Methods: Thi...
FORMULATION AND EVALUATION OF TIME-RELEASE COMPRESSION COATED TABLET CONTAINING ACEBROPHYLLINE FOR CHRONOTHERAPY OF ASTHMA.
Objective: The aim of present research was to develop compression coated tablet for pulsatile drug delivery of Acebrophylline used for chronotherapy of asthma. The drug delivery system was designed to deliver the drug at...
PNEUMOCOCCAL BIOFILMS AND THEIR INTERVENTION STRATEGIES
Pneumonia is a fatal infection with hard time breathing, cough, and fever. The children are at high risk worldwide due to pneumonia. This is responsible for childhood mortality and morbidity worldwide. It is mainly cause...
DESIGN AND OPTIMIZATION OF DOXORUBICIN HCL PRONIOSOMES BY-DESIGN OF EXPERIMENT
Objective: The present research work was designed to formulate and optimize doxorubicin HCl proniosomes by design of experiment (DoE). Methods: A 4-factor, 3-level Box-Behnken design was used to explain multiple linear...