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European journal of molecular biology and biochemistry

Volume 11, Issue 1, 2024
Mcmed International
European journal of molecular biology and biochemistry
Issn
2348 - 2192 (Print), 2348 - 2206 (Online)
Frequency
bi-annual
Email
editorejmbb@mcmed.us
Journal Home page
http://mcmed.us/journal/ejmbb
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Abstract
Title
PHYTOCHEMICAL BASED INSILICO DRUG DESIGN OF POTENT INHIBITORS FOR PDE7B- A THERAPEUTIC TARGET FOR COGNITIVE ENHANCEMENT IN NEUROLOGICAL DISORDERS
Author
Arthi Balasundaram*, Darling Chellathai, K.Janarthanan
Email
rtms86@yahoo.com
keyword
In-silico docking, Vasicine, Forskolin, Phosphodiesterase enzymes, Neurological disorders.
Abstract
In the recent times, the role of Phosphodiesterase enzymes in neurological disorders has been of extensive focus in the field of research. Phytochemicals are explored as possible options to inhibit these enzymes. In the present study ought to focus the possible inhibition of PDE7B (i.e.phosphodiesterase-7B) using two phytochemical molecules namely Vasicine from Adhatoda justiciae and Forskolin from Coleus forskohliiplant respectively. These two molecules were docked against a modelled structure of PDE7B using ‘autodock4’. The binding affinity estimated from in-silico docking for Vasicine was found to be stronger (-5.0kcal/mol) than Forskolin (-3.5-4.0kcal/mol). Based on this preliminary result, Vasicine would be selected as a prospective lead molecule for further development of inhibitors for PDE7B enzyme.
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