Benzylpyrazolyl naphthoquinones as potential VEGFR-2, GPCR and PPAR inhibitors: Synthesis, anti-cancer evaluation, molecular docking and DFT studies

被引:0
|
作者
Patil, Pradnya [1 ]
Patil, Pruthanka [2 ]
Dandge, Padma [3 ]
Bansode, Prakash [4 ]
Kumbhar, Bajarang [2 ]
Chandane, Wilson [1 ]
Rathod, Sanket [5 ]
Choudhari, Prafulla [5 ]
Khot, Suraj [1 ]
Valekar, Navanath [1 ]
Pore, Dattaprasad [1 ]
Rashinkar, Gajanan [1 ]
机构
[1] Department of Chemistry, Shivaji University, (M.S.), Kolhapur,416004, India
[2] Department of Biological Sciences, Sunandan Divatia School of Science, SVKM's Narsee Monjee Institute of Management Studies (NMIMS) Deemed-to-University, (M.S.), Mumbai,400056, India
[3] Department of Biochemistry, Shivaji University, (M.S.), Kolhapur,416004, India
[4] Department of Chemistry, Sangola College, (M.S.), Sangola,413307, India
[5] Department of Pharmaceutical Chemistry, Bharati Vidyapeeth College of pharmacy, (M.S.), Kolhapur,416013, India
关键词
Compendex;
D O I
暂无
中图分类号
学科分类号
摘要
Binding energy - Cell culture - Cells - Density functional theory - Design for testability - Diseases - Hydrogen bonds - Ionic liquids - Ketones - Molecular modeling - Nanocatalysts - Van der Waals forces
引用
收藏
相关论文
共 50 条
  • [1] Benzylpyrazolyl naphthoquinones as potential VEGFR-2, GPCR and PPAR inhibitors: Synthesis, anti-cancer evaluation, molecular docking and DFT studies
    Patil, Pradnya
    Patil, Pruthanka
    Dandge, Padma
    Bansode, Prakash
    Kumbhar, Bajarang
    Chandane, Wilson
    Rathod, Sanket
    Choudhari, Prafulla
    Khot, Suraj
    Valekar, Navanath
    Pore, Dattaprasad
    Rashinkar, Gajanan
    JOURNAL OF MOLECULAR STRUCTURE, 2024, 1301
  • [2] Virtual Screening, Molecular Docking Studies and DFT Calculations of Novel Anticancer Flavonoids as Potential VEGFR-2 Inhibitors
    Shah, Ashish
    Parmar, Ghanshyam
    Shah, Umang
    Perumal, Sathiaseelan
    CHEMISTRY AFRICA-A JOURNAL OF THE TUNISIAN CHEMICAL SOCIETY, 2023, 6 (04): : 1847 - 1861
  • [3] Virtual Screening, Molecular Docking Studies and DFT Calculations of Novel Anticancer Flavonoids as Potential VEGFR-2 Inhibitors
    Ashish Shah
    Ghanshyam Parmar
    Umang Shah
    Sathiaseelan Perumal
    Chemistry Africa, 2023, 6 : 1847 - 1861
  • [4] Anti-cancer and immunomodulatory evaluation of new nicotinamide derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: in vitro and in silico studies
    Yousef, Reda G.
    Elwan, Alaa
    Gobaara, Ibraheem M. M.
    Mehany, Ahmed B. M.
    Eldehna, Wagdy M.
    El-Metwally, Souad A.
    Alsfouk, Bshra A.
    Elkaeed, Eslam B.
    Metwaly, Ahmed M.
    Eissa, Ibrahim H.
    JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2022, 37 (01) : 2206 - 2222
  • [5] Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers
    Eissa, Ibrahim H.
    Yousef, Reda G.
    Elkady, Hazem
    Elkaeed, Eslam B.
    Alsfouk, Aisha A.
    Husein, Dalal Z.
    Ibrahim, Ibrahim M.
    Elhendawy, Mostafa. A.
    Godfrey, Murrell
    Metwaly, Ahmed M.
    COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2023, 107
  • [6] Discovery of Novel Pyrimidine Based Small Molecule Inhibitors as VEGFR-2 Inhibitors: Design, Synthesis, and Anti-Cancer Studies
    Dhawale, Sachin A.
    Mokale, Santosh N.
    Dabhade, Pratap S.
    CURRENT COMPUTER-AIDED DRUG DESIGN, 2025, 21 (01) : 38 - 49
  • [7] Synthesis, molecular docking, and evaluation of novel bivalent pyrazolinyl-1,2,3-triazoles as potential VEGFR TK inhibitors and anti-cancer agents
    Ahmed A. Abd-Rabou
    Bakr F. Abdel-Wahab
    Mohamed S. Bekheit
    Chemical Papers, 2018, 72 : 2225 - 2237
  • [8] Synthesis, molecular docking, and evaluation of novel bivalent pyrazolinyl-1,2,3-triazoles as potential VEGFR TK inhibitors and anti-cancer agents
    Abd-Rabou, Ahmed A.
    Abdel-Wahab, Bakr F.
    Bekheit, Mohamed S.
    CHEMICAL PAPERS, 2018, 72 (09) : 2225 - 2237
  • [9] Synthesis of thiazoloquinolinone derivatives: molecular docking, MD simulation, and pharmacological evaluation as VEGFR-2 inhibitors
    Amiri, Zeinab
    Bayat, Mohammad
    Gheidari, Davood
    BMC CHEMISTRY, 2025, 19 (01)
  • [10] Discovery of New VEGFR-2 Inhibitors: Design, Synthesis, Anti-Proliferative Evaluation, Docking, and MD Simulation Studies
    Elkaeed, Eslam B.
    Yousef, Reda G.
    Khalifa, Mohamed M.
    Ibrahim, Albaraa
    Mehany, Ahmed B. M.
    Gobaara, Ibraheem M. M.
    Alsfouk, Bshra A.
    Eldehna, Wagdy M.
    Metwaly, Ahmed M.
    Eissa, Ibrahim H.
    El-Zahabi, Mohamed Ayman
    MOLECULES, 2022, 27 (19):