Molecular Docking and dynamic simulation analysis of flavonoid derivatives as COX-2 inhibitors

被引:0
|
作者
Pasula Janakiramulu [1 ]
Estari Mamidala [1 ]
机构
[1] Kakatiya University,Department of Zoology
关键词
Cyclooxygenase-2 (COX-2); Flavonoids; Molecular Docking; Molecular dynamics simulation; Cudraflavone A; RMSD; RMSF;
D O I
10.1007/s40203-025-00349-x
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [41] Docking studies of 1,5-diarylimidazole COX-2 inhibitors
    Li, Shun-Lai
    Zheng, Yan
    Wang, Feng-Ying
    Beijing Huagong Daxue Xuebao (Ziran Kexueban)/Journal of Beijing University of Chemical Technology (Natural Science Edition), 2006, 33 (04): : 75 - 79
  • [42] Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives
    Desiraju, GR
    Sarma, JARP
    Raveendra, D
    Gopalakrishnan, B
    Thilagavathi, R
    Sobhia, ME
    Subramanya, HS
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2001, 14 (07) : 481 - 487
  • [43] DESIGN AND SYNTHESIS OF SUBSTITUTED PYRROLE DERIVATIVES AS COX-2 INHIBITORS
    Kumar, R.
    Subramanian, A.
    Masand, N.
    Patil, V. M.
    DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2010, 5 (03) : 667 - 674
  • [44] Synthesis and Evaluation of Benzimidazole Derivatives as Selective COX-2 Inhibitors
    Rathore, Ankita
    Mujeeb-Ur-Rahman
    Siddiqui, Anees A.
    Ali, Abuzer
    Yar, Mohammad Shahar
    MEDICINAL CHEMISTRY, 2015, 11 (02) : 188 - 199
  • [45] Comparative molecular field analysis of selective cyclooxygenase-2 (COX-2) inhibitors
    Marot, C
    Chavatte, P
    Lesieur, D
    QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 2000, 19 (02): : 127 - 134
  • [46] Synthesis of novel thiadiazole derivatives as selective COX-2 inhibitors
    Ragab, Fatma A.
    Heiba, Helmi I.
    El-Gazzar, Marwa G.
    Abou-Seri, Sahar M.
    El-Sabbagh, Walaa A.
    El-Hazek, Reham M.
    MEDCHEMCOMM, 2016, 7 (12) : 2309 - 2327
  • [47] The molecular basis of COX-2 versus COX-1 selectivity of lumiracoxib by molecular docking studies
    Correa, Celia M.
    de Paula, Andre F.
    da Silva, Gilberto M. S.
    Sant'Anna, Carlos M. R.
    Fraga, Carlos A. M.
    Barreiro, Eliezer J.
    LETTERS IN DRUG DESIGN & DISCOVERY, 2007, 4 (06) : 422 - 425
  • [48] Molecular modeling of pyridine derivatives for COX-2 inhibitors: quantitative structure–activity relationship study
    Amrita Dwivedi
    A. K. Srivastava
    Ajeet Singh
    Medicinal Chemistry Research, 2014, 23 : 1865 - 1877
  • [49] Molecular Interaction Analysis of COX-2 Against Aryl Amino Alcohol Derivatives from Isoeugenol as Anti Breast Cancer using Molecular Docking
    Zuhrufa, Zulfa
    Julianto, Tatang Shabur
    BULLETIN OF CHEMICAL REACTION ENGINEERING AND CATALYSIS, 2021, 16 (03): : 581 - 587
  • [50] Hansch analysis of dihydro-pyrazolyl-thiazolinone derivatives as potential COX-2 inhibitors
    Dwivedi, Amrita
    Singh, Ajeet
    Tripathi, Akansha
    Srivastava, A. K.
    JOURNAL OF THE INDIAN CHEMICAL SOCIETY, 2015, 92 (11) : 1747 - 1753