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Cad: Comprehensive Database of Alkaloids

Thesis Info

Access Option

External Link

Author

Arooj Mumtaz

Institute

Virtual University of Pakistan

Institute Type

Public

City

Lahore

Province

Punjab

Country

Pakistan

Thesis Completing Year

2017

Thesis Completion Status

Completed

Subject

Software Engineering

Language

English

Link

http://vspace.vu.edu.pk/detail.aspx?id=139

Added

2021-02-17 19:49:13

Modified

2024-03-24 20:25:49

ARI ID

1676720976334

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Alkaloids are most important natural secondary metabolites with a wide range of structural diversity. More than 12,000 alkaloids have been reported from different plant genera. Plant alkaloids are cheap in terms of cost and have fewer side effects as compared to other alkaloid sources. Different structural databases are available containing thousands of alkaloids from different sub-categories lacking the information about ADMET, 2D and 3D properties, bioactivities, interaction with genes, pathway and diseases in which it is involved and cross references in a single platform. CAD is aimed to provide a single useful online and downloadable platform to fulfill this gap and help researchers to get information in a time efficient manner. Briefly, methods used to implement CAD was 1) searching plants of sub-continent India, 2) Searching for alkaloids contained in these plants, 3) Finding structural properties from publically available databases and journals, 4) Prediction of ADMET properties, 5) Making of different structural formats using MOE software, 6) Prediction of 2D and 3D properties and development ofReady to Dock Library using MOE software 7) searching for associated gene interaction, disease and pathway data, 8) storing data in RDBMS 9) retrieving information using PHP. The resulted database can be searched with alkaloid, gene, disease and pathway name by simple typing the corresponding name or by selecting from dropdown menu. After successful implementation of CAD, it was concluded that CAD could fulfill its desired aims with unique organized information of alkaloids. In future CAD will include more plants and their alkaloids from different countries and more scientifically useful aspects.
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