Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods

Design and development of new anticancer drugs with low toxicity is a very challenging task and computer aided methods are being increasingly used to solve this problem. In this research we investigate the anticancer activity of aliphatic nitrosoureas using quantum chemical quantitative structure a...

Full description

Bibliographic Details
Main Authors: Noorbatcha, Ibrahim Ali, Hamzah, F., Mohd. Salleh, Hamzah, Syed Osman Idid, Syed Zahir Idid
Format: Conference or Workshop Item
Language:English
Published: 2011
Subjects:
Online Access:http://irep.iium.edu.my/3997/
http://irep.iium.edu.my/3997/
http://irep.iium.edu.my/3997/1/Anticanc_Act_of_Aliph_Nitrosoureas__QC_QSAR_pg367-470.pdf
id iium-3997
recordtype eprints
spelling iium-39972012-01-19T00:19:51Z http://irep.iium.edu.my/3997/ Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods Noorbatcha, Ibrahim Ali Hamzah, F. Mohd. Salleh, Hamzah Syed Osman Idid, Syed Zahir Idid TP248.13 Biotechnology Design and development of new anticancer drugs with low toxicity is a very challenging task and computer aided methods are being increasingly used to solve this problem. In this research we investigate the anticancer activity of aliphatic nitrosoureas using quantum chemical quantitative structure activity relation (qcQAR) approach. In this method the physic-chemical properties, known as descriptors, necessary for predicting quantitative structure activity relations is obtained from semi empirical quantum chemical methods. We have used Recife Model 1 (RM1) to optimize the structure of the molecules and to calculate the quantum chemical descriptors, while heuristic and best multilinear regression methodswere applied to obtain the best correlation. Two data sets containing aliphatic nitrosoureas and chloroethyl substituted nitrosoureas, are used in the present calculations. The best QSAR equations obtained here can be used to design new anticancer drugs prior to resorting to experimental activity studies. 2011-05-17 Conference or Workshop Item PeerReviewed application/pdf en http://irep.iium.edu.my/3997/1/Anticanc_Act_of_Aliph_Nitrosoureas__QC_QSAR_pg367-470.pdf Noorbatcha, Ibrahim Ali and Hamzah, F. and Mohd. Salleh, Hamzah and Syed Osman Idid, Syed Zahir Idid (2011) Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods. In: International Conference on Biotechnology Engineering ICBioE ’11, 17-19 May, 2011 , Kuala Lumpur. http://www.iium.edu.my/icbioe/2011/
repository_type Digital Repository
institution_category Local University
institution International Islamic University Malaysia
building IIUM Repository
collection Online Access
language English
topic TP248.13 Biotechnology
spellingShingle TP248.13 Biotechnology
Noorbatcha, Ibrahim Ali
Hamzah, F.
Mohd. Salleh, Hamzah
Syed Osman Idid, Syed Zahir Idid
Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
description Design and development of new anticancer drugs with low toxicity is a very challenging task and computer aided methods are being increasingly used to solve this problem. In this research we investigate the anticancer activity of aliphatic nitrosoureas using quantum chemical quantitative structure activity relation (qcQAR) approach. In this method the physic-chemical properties, known as descriptors, necessary for predicting quantitative structure activity relations is obtained from semi empirical quantum chemical methods. We have used Recife Model 1 (RM1) to optimize the structure of the molecules and to calculate the quantum chemical descriptors, while heuristic and best multilinear regression methodswere applied to obtain the best correlation. Two data sets containing aliphatic nitrosoureas and chloroethyl substituted nitrosoureas, are used in the present calculations. The best QSAR equations obtained here can be used to design new anticancer drugs prior to resorting to experimental activity studies.
format Conference or Workshop Item
author Noorbatcha, Ibrahim Ali
Hamzah, F.
Mohd. Salleh, Hamzah
Syed Osman Idid, Syed Zahir Idid
author_facet Noorbatcha, Ibrahim Ali
Hamzah, F.
Mohd. Salleh, Hamzah
Syed Osman Idid, Syed Zahir Idid
author_sort Noorbatcha, Ibrahim Ali
title Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
title_short Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
title_full Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
title_fullStr Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
title_full_unstemmed Prediction of anticancer activity of Aliphatic Nitrosoureas using Quantum Chemical QSAR methods
title_sort prediction of anticancer activity of aliphatic nitrosoureas using quantum chemical qsar methods
publishDate 2011
url http://irep.iium.edu.my/3997/
http://irep.iium.edu.my/3997/
http://irep.iium.edu.my/3997/1/Anticanc_Act_of_Aliph_Nitrosoureas__QC_QSAR_pg367-470.pdf
first_indexed 2023-09-18T20:12:02Z
last_indexed 2023-09-18T20:12:02Z
_version_ 1777407541662187520