Quantitative Structure-Activity Analysis of 1,3,5-Trisubstituted Pyrazoline Derivatives as Monoamine Oxidase Inhibitors

被引:0
|
作者
Mishra, Vikash [1 ]
Kashaw, Sushil K. [1 ]
Kumar, Ajay [2 ]
机构
[1] Dr Hari Singh Gour Vishwavidyalaya, Pharmaceut Chem Div, Dept Pharmaceut Sci, Sagar 470003, India
[2] CSJM Univ, Inst Pharm, Kanpur 208024, Uttar Pradesh, India
关键词
QSAR; Pyrazoline derivatives; Monoamine oxidase inhibitors;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Quantitative structure activity relationship (QSAR) study has been performed on twenty four derivatives of 1,3,5-trisubstituted pyrazolines for identifying important physicochemical properties responsible for their binding affinity towards monoamineoxidase enzyme. QSAR study was performed using various physicochemical (hydrophobic, electronic, steric, etc.) parameters as independent variables and monoamine oxidase inhibitory activity as dependent parameter. The 2D QSAR studies revealed that the activity is mainly influenced by hydrophobicity parameter, where the hydrophobicity (log P) contributes negatively and polorizability parameter (MR) contributes positively towards the biological activity. All derived models display satisfactory correlation coefficient (>0.7).
引用
收藏
页码:4377 / 4379
页数:3
相关论文
共 50 条
  • [21] Synthesis and Biological Activity of Novel 1,3,5-Trisubstituted 1,2,4-Triazole Derivatives
    Parmar, Kokila
    Suthar, Bharat
    Prajapati, Saraju
    Suthar, Arun
    JOURNAL OF HETEROCYCLIC CHEMISTRY, 2010, 47 (01) : 156 - 161
  • [22] STRUCTURE AND ACTIVITY RELATIONSHIP OF MONOAMINE OXIDASE INHIBITORS, PHENYLACETYLHYDRAZIDE DERIVATIVES
    NAKAMURA, K
    MASUDA, Y
    TATSUMI, H
    FUJIMOTO, K
    JAPANESE JOURNAL OF PHARMACOLOGY, 1963, 13 (02): : 186 - &
  • [23] Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors
    Isaacs, Richard C. A.
    Newton, Christina L.
    Cutrona, Kellie J.
    Mercer, Swati P.
    Payne, Linda S.
    Stauffer, Kenneth J.
    Williams, Peter D.
    Cook, Jacquelynn J.
    Krueger, Julie A.
    Lewis, S. Dale
    Lucas, Bobby J.
    Lyle, Elizabeth A.
    Lynch, Joseph J.
    McMasters, Daniel R.
    Naylor-Olsen, Adel M.
    Michener, Maria T.
    Wallace, Audrey A.
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2011, 21 (05) : 1536 - 1540
  • [24] Synthesis and In Vitro Antifungal Evaluation of 1,3,5-Trisubstituted-2-Pyrazoline Derivatives
    Deng, Hui
    Yu, Zhi-Yi
    Shi, Guan-Ying
    Chen, Ming-Jing
    Tao, Ke
    Hou, Tai-Ping
    CHEMICAL BIOLOGY & DRUG DESIGN, 2012, 79 (03) : 279 - 289
  • [25] Design, synthesis, and biological evaluation of 1,3,5-trisubstituted pyrazoles as tyrosine kinase inhibitors
    Gawandi, Sinthiya J.
    Desai, Vidya G.
    Shingade, Sunil G.
    MEDICINAL CHEMISTRY RESEARCH, 2019, 28 (03) : 267 - 278
  • [26] Synthesis and analgesic activity of 1,3,5-trisubstituted pyrazoles containing a diterpenoid moiety
    M. E. Mironov
    A. I. Poltanovich
    T. V. Rybalova
    M. P. Dolgikh
    T. G. Tolstikova
    E. E. Shults
    Russian Chemical Bulletin, 2020, 69 : 537 - 546
  • [27] VIBRATIONAL SPECTRA OF BENZENE DERIVATIVES .11. 1,3,5-TRISUBSTITUTED AND 1,2,3-TRISUBSTITUTED COMPOUNDS
    GREEN, JHS
    HARRISON, DJ
    KYNASTON, W
    SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1971, A 27 (06): : 793 - &
  • [28] Synthesis and analgesic activity of 1,3,5-trisubstituted pyrazoles containing a diterpenoid moiety
    Mironov, M. E.
    Poltanovich, A. I.
    Rybalova, T. V.
    Dolgikh, M. P.
    Tolstikova, T. G.
    Shults, E. E.
    RUSSIAN CHEMICAL BULLETIN, 2020, 69 (03) : 537 - 546
  • [29] Design, synthesis, and biological evaluation of 1,3,5-trisubstituted pyrazoles as tyrosine kinase inhibitors
    Sinthiya J. Gawandi
    Vidya G. Desai
    Sunil G. Shingade
    Medicinal Chemistry Research, 2019, 28 : 267 - 278
  • [30] A PLS QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDY OF SOME MONOAMINE-OXIDASE INHIBITORS OF THE PHENYL ALKYLAMINE TYPE
    NORINDER, U
    FLORVALL, L
    ROSS, SB
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1994, 29 (03) : 191 - 195