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Tapkir AS, Chitlange SS, Bhole RP. Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents. Data Brief. 2017;14:469-473doi: 10.1016/j.dib.2017.08.006.
Tapkir, A. S., Chitlange, S. S., & Bhole, R. P. (2017). Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents. Data in brief, 14469-473. https://doi.org/10.1016/j.dib.2017.08.006
Tapkir, Amit S, et al. "Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents." Data in brief vol. 14 (2017): 469-473. doi: https://doi.org/10.1016/j.dib.2017.08.006
Tapkir AS, Chitlange SS, Bhole RP. Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents. Data Brief. 2017 Aug 09;14:469-473. doi: 10.1016/j.dib.2017.08.006. eCollection 2017 Oct. PMID: 28831410; PMCID: PMC5554989.
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Data Brief. 2017 Aug 09;14:469-473. doi: 10.1016/j.dib.2017.08.006. eCollection 2017 Oct.

Dataset of 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole derivatives for GQSAR of antitubercular agents.

Data in brief

Amit S Tapkir, Sohan S Chitlange, Ritesh P Bhole

Affiliations

  1. Progressive Education Society's, Modern College of Pharmacy, Sector 21, Yamunanagar, Nigdi, Pune 411044, Maharashtra, India.
  2. Dr. D. Y. Patil Vidya Pratishthan Society's Dr. D.Y. Patil Institute of Pharmaceutical Sciences & Research, Pimpri, Pune 411018, Maharashtra, India.

PMID: 28831410 PMCID: PMC5554989 DOI: 10.1016/j.dib.2017.08.006

Abstract

Fragment based Quantitative structure activity relationship (QSAR) analysis on reported 25 2-(2-(4-aryloxybenzylidene) hydrazinyl) benzothiazole dataset as antitubercular agents were carried out. Molecules in the current dataset were fragmented into six fragments (R1, R2, R3, R4, R5, R6).Group based QSAR Models were derived using Multiple linear regression (MLR) analysis and selected on the basis of various statistical parameters. Dataset of benzothiazole reveled importance of presence of halogen atoms on is essential requirement. The generated models will provide structural requirements of benzothiazole derivatives which can be used to design and develop potent antitubercular derivatives.

Keywords: Antitubercular; Benzothiazole; GQSAR; Quantitative structure-activity relationship

References

  1. J Comput Aided Mol Des. 2002 May-Jun;16(5-6):357-69 - PubMed
  2. Curr Top Med Chem. 2008;8(18):1606-27 - PubMed
  3. Bioorg Med Chem Lett. 2012 Jan 1;22(1):649-52 - PubMed

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