Journal of Pharmaceutical Research

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Molecular Properties and Bio-Activity Score of 2{[2-(4-chlorophenyl)-4- oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) Acetamides


Affiliations
1 Department of Pharmaceutical Chemistry, Al-Ameen College of Pharmacy, Hosur Road, Near Lalbagh Main Gate, Bangalore-560027, KA, India
2 Goa College of Pharmacy, 18 June Road, Panaji, Goa-403001, India
 

Purpose of the paper: Quinazolinone derivatives have been found to possess a wide range of biological activity, a series of 2{[2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) acetamides have been taken to study the molecular properties and bio-activity score that shall aid in designing newer compounds.

Design/methodology/approach: Molinspiration software was used for the calculation of Mi Log P values and all other biological data of the compounds.

Findings: It was found that the values were in the range of 5 that means these compounds have good permeability across cell membrane. TPSA in the range of 76.02 to 121.85 (well below 160) and molecular mass<500. Number of violations is 0 and rotb < 7. Number of hydrogen bond donors <5 (The sum of OHs and NHs) and hydrogenbond acceptor < 7 (The sum of Os and Ns). These observation showed that the compounds can easily bind to receptor and weretaken further for the calculation of bioactivity score.

Research limitations/implications: The result of bioactivity score of GPCR ligand, ion channel modulator,nuclear receptor ligand, inhibitor activities towards enzymes, protease and kinase showed that the compounds exhibit moderate score towards all the receptors. Hence, these compounds shall be taken for further studies to evaluate their biological profile.

Practical implications: A series of similar analogs shall be considered for evaluating the bioactivity score and compared for designing newer compounds.

Social Implications: Designing of newer derivatives based on the bioactivity score of these reported compounds shall have profound biological activity.

What is original/value of paper: The article deals with evaluation of bioactivity score of a series of quinazolinone derivatives.


Keywords

{[2-(4-Chlorophenyl)-4-Oxoquinazolin-3(4H)-yl]amino}-N-(Substitutedphenyl) Acetamides, Molecular Properties, Bioactivity Score.
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  • P. Selvam, K. Babu, R. Padmaraj, L. Persoon, ED Clercq. African J Pharm and Pharmacol., 2008, 2(6), 110-115.

  • B.Maggio, G.Daidone, D.Raffa, S.Plescia, L.Mantione, VMC.Cutuli, N.G.Mangano, A.Caruso, Eur. J. Med. Chem., 2001, 36, 737 - 42.

  • S.K.Sahu, A. Md. Afzal, M. Banerjee, S. Acharrya, C.C. Beheraa, S. Sic. J. Braz. Chem. Soc., 2008,19(5), 963-70.

  • J.Y.Melvin, R.M. Jefferson, D.T. Richard, P.R. H. Peter, A.P. Lee, I. R. Kentteth. Bioorg & Med Chem Lett., 1992, 2(9), 1121-6.

  • K. Petr, R. Dirk, J. Ulrich. Molecules, 2006, 11, 286-297S.K. Pandey, S. Abhishek, S. Ashutosh, Nizamuddin. Eur. J. Med. Chem. xx, (2008), 01.

  • V.Alagarsamy, U.S.Pathak, Bioorg & Med. Chem., 2007, 15, 3457–62.

  • S.Rajasekaran, GopalKrishna Rao, Sanjay Pai P N, Qaseem Ahmad and Jasmine.A. Ind J Het Chem, (19), Nov-Dec, 2009, 191-2.

  • Singh S, Gupta AK, Verma A. Molecular properties and bioactivity score of Aloe vera antioxidant compounds-in order to lead finding. Res J Pharm Biol Chem Sci, 2013; 4(2): 876-81.


Abstract Views: 165

PDF Views: 64




  • Molecular Properties and Bio-Activity Score of 2{[2-(4-chlorophenyl)-4- oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) Acetamides

Abstract Views: 165  |  PDF Views: 64

Authors

S. Rajasekaran
Department of Pharmaceutical Chemistry, Al-Ameen College of Pharmacy, Hosur Road, Near Lalbagh Main Gate, Bangalore-560027, KA, India
GopalKrishna Rao
Goa College of Pharmacy, 18 June Road, Panaji, Goa-403001, India
Zonunsiami
Department of Pharmaceutical Chemistry, Al-Ameen College of Pharmacy, Hosur Road, Near Lalbagh Main Gate, Bangalore-560027, KA, India

Abstract


Purpose of the paper: Quinazolinone derivatives have been found to possess a wide range of biological activity, a series of 2{[2-(4-chlorophenyl)-4-oxoquinazolin-3(4H)-yl]amino}-N-(substitutedphenyl) acetamides have been taken to study the molecular properties and bio-activity score that shall aid in designing newer compounds.

Design/methodology/approach: Molinspiration software was used for the calculation of Mi Log P values and all other biological data of the compounds.

Findings: It was found that the values were in the range of 5 that means these compounds have good permeability across cell membrane. TPSA in the range of 76.02 to 121.85 (well below 160) and molecular mass<500. Number of violations is 0 and rotb < 7. Number of hydrogen bond donors <5 (The sum of OHs and NHs) and hydrogenbond acceptor < 7 (The sum of Os and Ns). These observation showed that the compounds can easily bind to receptor and weretaken further for the calculation of bioactivity score.

Research limitations/implications: The result of bioactivity score of GPCR ligand, ion channel modulator,nuclear receptor ligand, inhibitor activities towards enzymes, protease and kinase showed that the compounds exhibit moderate score towards all the receptors. Hence, these compounds shall be taken for further studies to evaluate their biological profile.

Practical implications: A series of similar analogs shall be considered for evaluating the bioactivity score and compared for designing newer compounds.

Social Implications: Designing of newer derivatives based on the bioactivity score of these reported compounds shall have profound biological activity.

What is original/value of paper: The article deals with evaluation of bioactivity score of a series of quinazolinone derivatives.


Keywords


{[2-(4-Chlorophenyl)-4-Oxoquinazolin-3(4H)-yl]amino}-N-(Substitutedphenyl) Acetamides, Molecular Properties, Bioactivity Score.

References