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Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors

Yıl 2017, Cilt: 21 Sayı: 3, 631 - 643, 23.06.2017

Pp Subramani Sv Khare Sp Choudhari S.p Phalle Ss Kumbhar Vs Kavade Aa Pratavale Pb Choudhari

https://doi.org/10.12991/marupj.323295

Öz

Fatty acid biosynthesis is an important process in the
microorganism life cycle. β-Ketoacyl-acyl Carrier Protein
Synthase III (FABH) catalyzes a critical step in fatty acid
biosynthesis via type ii fatty acid biosynthesis. Series of 43
Benzoyl amino benzoic acid derivatives were subjected to 2D
and 3D quantitative structure-activity relationships (QSAR)
analysis via multiple linear regression and partial least square
analysis respectively. Statistically significant four QSAR 
models were developed with good cross-validated correlation
coefficient and external validation values. Developed QSAR
model indicated the significance of the lipophilic parameters
in an inhibitory potential of benzoyl amino benzoic acid
derivatives.

Anahtar Kelimeler

QSAR Benzoyl amino benzoic acid FabHβ- Ketoacyl-acyl Carrier Protein Synthase III Partial least square (PLS) Multiple linear regression (MLR)

Kaynakça

  • 1. Mohajan HK. Tuberculosis is a fatal disease among some developing countries of the world. Am J Infect Dis 2015; 3: 18-31. 2. Choi KH, Heath RJ, Rock CO. Beta-ketoacyl-acyl carrier protein synthase III (FabH) is a determining factor in branched-chain fatty acid biosynthesis. J Bacteriol 2000; 182: 365-70 3. Choi KH, Kremer L, Besra GS, Rock CO. Identification and substrate specificity of beta -ketoacyl (acyl carrier protein) synthase III (mtFabH) from Mycobacterium tuberculosis. J Biol Chem. 2000; 275: 28201-7. 4. Han L, Lobo S, Reynolds KA. Characterization of betaketoacyl- acyl carrier protein synthase III from Streptomyces glaucescens and its role in initiation of fatty acid biosynthesis. J Bacteriol 1998; 180:4481-6. 5. Veyron-Churlet R, Guerrini O, Mourey L, Daffé M, Zerbib D. Protein-protein interactions within the Fatty Acid Synthase-II system of Mycobacterium tuberculosis are essential for mycobacterial viability. Mol Microbiol 2004; 54:1161-72. 6. Chatterjee D. The mycobacterial cell wall: structure, biosynthesis and sites of drug action Curr Opin Chem Biol 1997; 1:579-88 7. Cohen-Gonsaud M1, Ducasse S, Hoh F, Zerbib D, Labesse G, Quemard A. Crystal structure of MabA from Mycobacterium tuberculosis, a reductase involved in long-chain fatty acid biosynthesis. J Mol Biol 2002; 320:249-61. 8. Heath RJ, White SW, Rock CO. Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res 2001 ;40:467-97. 9. Rock CO, Jackowski S. Forty years of bacterial fatty acid synthesis. Biochem Biophys Res Commun 2002; 292:1155-66. 10. Heath RJ, White SW, Rock CO. Inhibitors of fatty acid synthesis as antimicrobial chemotherapeutics. Appl Microbiol Biotechnol 2002; 58:695-703. 11. Tsay JT, Oh W, Larson TJ, Jackowski S, Rock CO. Isolation and characterization of the beta-ketoacyl-acyl carrier protein synthase III gene (fabH) from Escherichia coli K-12. J Biol Chem 1992; 267:6807-14. 12. Choudhari PB, Bhatia MS. 3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors. Med Chem Res 2012; 21: 1427-32. 13. Choudhari PB, Bhatia MS, Bhatia NM. Application of pocket modeling and k-nearest neighbor molecular field analysis (kNN-MFA) for designing of some anticoagulants: potential factor IXa inhibitors. Med Chem Res 2013; 22: 976-5. 14. Nie Z, Perretta C, Lu J, Su Y, Margosiak S, Gajiwala KS, Cortez J, Nikulin V, Yager KM, Appelt K, Chu S. Structurebased design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents. J Med Chem 2005; 48:1596-609. 15. Ashek A, Cho SJ. A combined approach of docking and 3D QSAR study of beta-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors. Bioorg Med Chem 2006;14:1474-82. 16. Ashek A, San Juan AA, Cho SJ. HQSAR study of beta-ketoacylacyl carrier protein synthase III (FabH) inhibitors. J Enzyme Inhib Med Chem 2007; 22:7-14.

Yıl 2017, Cilt: 21 Sayı: 3, 631 - 643, 23.06.2017

Pp Subramani Sv Khare Sp Choudhari S.p Phalle Ss Kumbhar Vs Kavade Aa Pratavale Pb Choudhari

https://doi.org/10.12991/marupj.323295

Öz

Kaynakça

  • 1. Mohajan HK. Tuberculosis is a fatal disease among some developing countries of the world. Am J Infect Dis 2015; 3: 18-31. 2. Choi KH, Heath RJ, Rock CO. Beta-ketoacyl-acyl carrier protein synthase III (FabH) is a determining factor in branched-chain fatty acid biosynthesis. J Bacteriol 2000; 182: 365-70 3. Choi KH, Kremer L, Besra GS, Rock CO. Identification and substrate specificity of beta -ketoacyl (acyl carrier protein) synthase III (mtFabH) from Mycobacterium tuberculosis. J Biol Chem. 2000; 275: 28201-7. 4. Han L, Lobo S, Reynolds KA. Characterization of betaketoacyl- acyl carrier protein synthase III from Streptomyces glaucescens and its role in initiation of fatty acid biosynthesis. J Bacteriol 1998; 180:4481-6. 5. Veyron-Churlet R, Guerrini O, Mourey L, Daffé M, Zerbib D. Protein-protein interactions within the Fatty Acid Synthase-II system of Mycobacterium tuberculosis are essential for mycobacterial viability. Mol Microbiol 2004; 54:1161-72. 6. Chatterjee D. The mycobacterial cell wall: structure, biosynthesis and sites of drug action Curr Opin Chem Biol 1997; 1:579-88 7. Cohen-Gonsaud M1, Ducasse S, Hoh F, Zerbib D, Labesse G, Quemard A. Crystal structure of MabA from Mycobacterium tuberculosis, a reductase involved in long-chain fatty acid biosynthesis. J Mol Biol 2002; 320:249-61. 8. Heath RJ, White SW, Rock CO. Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res 2001 ;40:467-97. 9. Rock CO, Jackowski S. Forty years of bacterial fatty acid synthesis. Biochem Biophys Res Commun 2002; 292:1155-66. 10. Heath RJ, White SW, Rock CO. Inhibitors of fatty acid synthesis as antimicrobial chemotherapeutics. Appl Microbiol Biotechnol 2002; 58:695-703. 11. Tsay JT, Oh W, Larson TJ, Jackowski S, Rock CO. Isolation and characterization of the beta-ketoacyl-acyl carrier protein synthase III gene (fabH) from Escherichia coli K-12. J Biol Chem 1992; 267:6807-14. 12. Choudhari PB, Bhatia MS. 3D QSAR, docking studies, and pharmacophore modeling of selected factor Xa inhibitors. Med Chem Res 2012; 21: 1427-32. 13. Choudhari PB, Bhatia MS, Bhatia NM. Application of pocket modeling and k-nearest neighbor molecular field analysis (kNN-MFA) for designing of some anticoagulants: potential factor IXa inhibitors. Med Chem Res 2013; 22: 976-5. 14. Nie Z, Perretta C, Lu J, Su Y, Margosiak S, Gajiwala KS, Cortez J, Nikulin V, Yager KM, Appelt K, Chu S. Structurebased design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents. J Med Chem 2005; 48:1596-609. 15. Ashek A, Cho SJ. A combined approach of docking and 3D QSAR study of beta-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors. Bioorg Med Chem 2006;14:1474-82. 16. Ashek A, San Juan AA, Cho SJ. HQSAR study of beta-ketoacylacyl carrier protein synthase III (FabH) inhibitors. J Enzyme Inhib Med Chem 2007; 22:7-14.
Toplam 1 adet kaynakça vardır.

Ayrıntılar

Konular Sağlık Kurumları Yönetimi
Bölüm Makaleler
Yazarlar

Pp Subramani

Sv Khare

Sp Choudhari

S.p Phalle

Ss Kumbhar

Vs Kavade

Aa Pratavale

Pb Choudhari

Yayımlanma Tarihi 23 Haziran 2017
Yayımlandığı Sayı Yıl 2017 Cilt: 21 Sayı: 3

Kaynak Göster

APA Subramani, P., Khare, S., Choudhari, S., Phalle, S., vd. (2017). Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors. Marmara Pharmaceutical Journal, 21(3), 631-643. https://doi.org/10.12991/marupj.323295
AMA Subramani P, Khare S, Choudhari S, Phalle S, Kumbhar S, Kavade V, Pratavale A, Choudhari P. Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors. J Res Pharm. Haziran 2017;21(3):631-643. doi:10.12991/marupj.323295
Chicago Subramani, Pp, Sv Khare, Sp Choudhari, S.p Phalle, Ss Kumbhar, Vs Kavade, Aa Pratavale, ve Pb Choudhari. “Investigation on quantitatıve Structure-Activity relationshıps of Benzoylamino Benzoic acıd Derivatives As β-Ketoacyl-Acyl carrıer Protein Synthase ııı (fabh) Inhibitors”. Marmara Pharmaceutical Journal 21, sy. 3 (Haziran 2017): 631-43. https://doi.org/10.12991/marupj.323295.
EndNote Subramani P, Khare S, Choudhari S, Phalle S, Kumbhar S, Kavade V, Pratavale A, Choudhari P (01 Haziran 2017) Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors. Marmara Pharmaceutical Journal 21 3 631–643.
IEEE P. Subramani, S. Khare, S. Choudhari, S. Phalle, S. Kumbhar, V. Kavade, A. Pratavale, ve P. Choudhari, “Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors”, J Res Pharm, c. 21, sy. 3, ss. 631–643, 2017, doi: 10.12991/marupj.323295.
ISNAD Subramani, Pp vd. “Investigation on quantitatıve Structure-Activity relationshıps of Benzoylamino Benzoic acıd Derivatives As β-Ketoacyl-Acyl carrıer Protein Synthase ııı (fabh) Inhibitors”. Marmara Pharmaceutical Journal 21/3 (Haziran 2017), 631-643. https://doi.org/10.12991/marupj.323295.
JAMA Subramani P, Khare S, Choudhari S, Phalle S, Kumbhar S, Kavade V, Pratavale A, Choudhari P. Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors. J Res Pharm. 2017;21:631–643.
MLA Subramani, Pp vd. “Investigation on quantitatıve Structure-Activity relationshıps of Benzoylamino Benzoic acıd Derivatives As β-Ketoacyl-Acyl carrıer Protein Synthase ııı (fabh) Inhibitors”. Marmara Pharmaceutical Journal, c. 21, sy. 3, 2017, ss. 631-43, doi:10.12991/marupj.323295.
Vancouver Subramani P, Khare S, Choudhari S, Phalle S, Kumbhar S, Kavade V, Pratavale A, Choudhari P. Investigation on quantitatıve structure-activity relationshıps of benzoylamino benzoic acıd derivatives as β-ketoacyl-acyl carrıer protein synthase ııı (fabh) inhibitors. J Res Pharm. 2017;21(3):631-43.

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