Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches

Cyclin-dependent kinases (CDKs) are a class of regulatory enzymes that modulate various biochemical properties of the cell such as cell division. Different CDK enzymes have been shown to be promising biological targets for combating different types of cancer. In particular, the CDK4 enzyme has been...

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Main Author:	Al Attraqchi, Omar Husham Ahmed
Format:	Thesis
Language:	English
Published:	2023
Subjects:	RM300-666 Drugs and their actions
Online Access:	http://eprints.usm.my/61326/1/24%20Pages%20from%20OMAR%20HUSHAM%20AHMED%20AL%20ATTRAQCHI.pdf
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id	my-usm-ep.61326
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spelling	my-usm-ep.613262024-10-18T00:50:05Z Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches 2023-02 Al Attraqchi, Omar Husham Ahmed RM300-666 Drugs and their actions Cyclin-dependent kinases (CDKs) are a class of regulatory enzymes that modulate various biochemical properties of the cell such as cell division. Different CDK enzymes have been shown to be promising biological targets for combating different types of cancer. In particular, the CDK4 enzyme has been observed to be overexpressed in several types of cancer including breast cancer. The usage of small-drug molecules that inhibits the activity of the CDK4 enzyme has proved to be clinically valid approach. However, currently available solutions suffer from various limitations such as insufficient activity. Among the most notable inhibitors of the CDK4 enzyme are the compounds based on the pyrido[2,3-d]pyrimidin-7-one scaffold. In this study, computer-aided drug design (CADD) methods including ligand-based and structure-based methods have been applied on the compounds derived from this scaffold. The applied CADD methods revealed the correlation of the physicochemical properties with the activity and gave insights into the binding process. The used ligand-based CADD methods included quantitative structure-activity relationship (QSAR) and pharmacophore modeling. 2023-02 Thesis http://eprints.usm.my/61326/ http://eprints.usm.my/61326/1/24%20Pages%20from%20OMAR%20HUSHAM%20AHMED%20AL%20ATTRAQCHI.pdf application/pdf en public masters Perpustakaan Hamzah Sendut Pusat Penyelidikan Dadah Dan Ubat-Ubatan
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	RM300-666 Drugs and their actions
spellingShingle	RM300-666 Drugs and their actions Al Attraqchi, Omar Husham Ahmed Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
description	Cyclin-dependent kinases (CDKs) are a class of regulatory enzymes that modulate various biochemical properties of the cell such as cell division. Different CDK enzymes have been shown to be promising biological targets for combating different types of cancer. In particular, the CDK4 enzyme has been observed to be overexpressed in several types of cancer including breast cancer. The usage of small-drug molecules that inhibits the activity of the CDK4 enzyme has proved to be clinically valid approach. However, currently available solutions suffer from various limitations such as insufficient activity. Among the most notable inhibitors of the CDK4 enzyme are the compounds based on the pyrido[2,3-d]pyrimidin-7-one scaffold. In this study, computer-aided drug design (CADD) methods including ligand-based and structure-based methods have been applied on the compounds derived from this scaffold. The applied CADD methods revealed the correlation of the physicochemical properties with the activity and gave insights into the binding process. The used ligand-based CADD methods included quantitative structure-activity relationship (QSAR) and pharmacophore modeling.
format	Thesis
qualification_level	Master's degree
author	Al Attraqchi, Omar Husham Ahmed
author_facet	Al Attraqchi, Omar Husham Ahmed
author_sort	Al Attraqchi, Omar Husham Ahmed
title	Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
title_short	Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
title_full	Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
title_fullStr	Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
title_full_unstemmed	Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches
title_sort	discovery of new potential pyrido[2,3-d]pyrimidin-7-one based cdk4 inhibitors using molecular modelling approaches
granting_institution	Perpustakaan Hamzah Sendut
granting_department	Pusat Penyelidikan Dadah Dan Ubat-Ubatan
publishDate	2023
url	http://eprints.usm.my/61326/1/24%20Pages%20from%20OMAR%20HUSHAM%20AHMED%20AL%20ATTRAQCHI.pdf
_version_	1818647396032184320

Discovery Of New Potential Pyrido[2,3-D]Pyrimidin-7-One Based Cdk4 Inhibitors Using Molecular Modelling Approaches

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