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Cycloxygenase-2(cox-2) - a potential target for screening of small molecules as radiation countermeasure agents: an in silico study

Conference:

Abstract

COX-2 is well established for its role in inflammation and cancer, and has also been reported to play a significant role in radiation induced inflammation and by standard effect. It's already reported to have a role in protection against radiation induced damage suggesting it to be an important target for identifying novel radiation countermeasure agents. Present study aims at identifying novel small molecules from pharmacopoeia using COX-2 as target in-silico. Systematic search of the reported molecules exhibiting radiation protection revealed lat around 29 % (40 in 138) of them have a role in inflammation and a small percentage of these molecules (20 %; 8 in 40) are reported to as non steroidal anti-inflammatory drugs (NSAIDS). Docking studies performed further clarified that all these 8 radioprotective molecules shows high binding affinity and inhibit COX-2. Further Johns Hopkins clinical compound library (JHCCL), a collection of small molecule clinical compounds, were screened virtually for COX-2 inhibition by docking approach. Docking of around 1400 small molecules against COX-2 lead to identification of a number of previously unreported molecules which are likely to act as radioprotectors. (author)
Authors:
Joshi, Jayadev; Shrivastava, Nitisha; Dimri, Manali; Ghosh, Subhajit; Mandal, Rahul Shubhra; Prem Kumar, I., E-mail: prem_indra@yahoo.co.in; [1]  Barik, Tapan Kumar [2] 
  1. Radiation Biosciences Division, Institute of Nuclear Medicine and Allied Sciences, Delhi (India)
  2. P.G. Department of Zoology, Berhampur University, Berhampur (India)
Publication Date:
Jul 01, 2012
Product Type:
Conference
Resource Relation:
Conference: International conference on emerging frontiers and challenges in radiation biology, Bikaner (India), 24-25 Jan 2012; Related Information: In: Proceedings of the international conference on emerging frontiers and challenges in radiation biology: abstracts| by Purohit, R.K.; Chakrawarti, Aruna; Agarwal, Manisha (eds.) [Radiation Biology Laboratory, Department of Zoology, Govt. Dungar College, Bikaner (India)]; Saini, Vipin (ed.) [Dept. of Geography, Govt. Dungar College, Bikaner (India)]; Arora, Anil (ed.) [Dept. of Botany, Govt. Dungar College, Bikaner (India)]| 178 p.
Subject:
62 RADIOLOGY AND NUCLEAR MEDICINE; INFLAMMATION; NEOPLASMS; RADIATION INJURIES; RADIATION PROTECTION; RADIOPROTECTIVE SUBSTANCES
OSTI ID:
22026968
Research Organizations:
Indian Society for Radiation Biology (India); Department of Zoology, Government Dungar College, Bikaner (India); Maharaja Ganga Singh University, Bikaner (India)
Country of Origin:
India
Language:
English
Other Identifying Numbers:
TRN: IN1201974115219
Submitting Site:
INIS
Size:
page(s) 69
Announcement Date:
Jan 24, 2013

Conference:

Citation Formats

Joshi, Jayadev, Shrivastava, Nitisha, Dimri, Manali, Ghosh, Subhajit, Mandal, Rahul Shubhra, Prem Kumar, I., E-mail: prem_indra@yahoo.co.in, and Barik, Tapan Kumar. Cycloxygenase-2(cox-2) - a potential target for screening of small molecules as radiation countermeasure agents: an in silico study. India: N. p., 2012. Web.
Joshi, Jayadev, Shrivastava, Nitisha, Dimri, Manali, Ghosh, Subhajit, Mandal, Rahul Shubhra, Prem Kumar, I., E-mail: prem_indra@yahoo.co.in, & Barik, Tapan Kumar. Cycloxygenase-2(cox-2) - a potential target for screening of small molecules as radiation countermeasure agents: an in silico study. India.
Joshi, Jayadev, Shrivastava, Nitisha, Dimri, Manali, Ghosh, Subhajit, Mandal, Rahul Shubhra, Prem Kumar, I., E-mail: prem_indra@yahoo.co.in, and Barik, Tapan Kumar. 2012. "Cycloxygenase-2(cox-2) - a potential target for screening of small molecules as radiation countermeasure agents: an in silico study." India.
@misc{etde_22026968,
title = {Cycloxygenase-2(cox-2) - a potential target for screening of small molecules as radiation countermeasure agents: an in silico study}
author = {Joshi, Jayadev, Shrivastava, Nitisha, Dimri, Manali, Ghosh, Subhajit, Mandal, Rahul Shubhra, Prem Kumar, I., E-mail: prem_indra@yahoo.co.in, and Barik, Tapan Kumar}
abstractNote = {COX-2 is well established for its role in inflammation and cancer, and has also been reported to play a significant role in radiation induced inflammation and by standard effect. It's already reported to have a role in protection against radiation induced damage suggesting it to be an important target for identifying novel radiation countermeasure agents. Present study aims at identifying novel small molecules from pharmacopoeia using COX-2 as target in-silico. Systematic search of the reported molecules exhibiting radiation protection revealed lat around 29 % (40 in 138) of them have a role in inflammation and a small percentage of these molecules (20 %; 8 in 40) are reported to as non steroidal anti-inflammatory drugs (NSAIDS). Docking studies performed further clarified that all these 8 radioprotective molecules shows high binding affinity and inhibit COX-2. Further Johns Hopkins clinical compound library (JHCCL), a collection of small molecule clinical compounds, were screened virtually for COX-2 inhibition by docking approach. Docking of around 1400 small molecules against COX-2 lead to identification of a number of previously unreported molecules which are likely to act as radioprotectors. (author)}
place = {India}
year = {2012}
month = {Jul}
}