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1. IN202111015404 - DISCOVEY OF CATALPOL FOR TREATING CORONAVIRIDAE FAMILY OF VIRUS”

Office
India
Application Number 202111015404
Application Date 31.03.2021
Publication Number 202111015404
Publication Date 28.01.2022
Publication Kind A
IPC
G16C
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
G16B
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
Applicants Sanskriti University
Inventors Dr. Vishal M. Balaramnavar
Ms. Deepti Mathpal
Mr Agnivesh
Title
(EN) DISCOVEY OF CATALPOL FOR TREATING CORONAVIRIDAE FAMILY OF VIRUS”
Abstract
(EN) A method (300) for identifying a binding site of an Catalpol , the method comprising: developing pharmacophore models to extract features from the; validating the developed pharmacophore models by comparing with pre-defined models of existing coronavirus drugs; performing a ligand-based virtual screening (first virtual screening) of a database of drugs with the validated pharmacophore models; performing a structure-based virtual screening (second virtual screening) of the validated pharmacophore models by structural docking of a target protein into the validated pharmacophore models; assigning a score to each pharmacophore model of the Catalpol in order to identify the validated pharmacophore models with a high binding affinity and efficiency; and comparing the score obtained from the ligand-based virtual screening (first virtual screening) and the structure-based virtual screening (second virtual screening) for classifying the scored pharmacophore models based on the target protein binding affinity and efficiency for the coronaviridae family of virus.