Design, Synthesis, Molecular Docking, and in vitro Cytotoxicity Studies of Marine Natural Product Herdmanine Derivatives as Multitarget Inhibitor for EGFR and HER2 Breast Cancer Proteins

被引：0
|
作者：
Gunjan, Pradeep [1 ]
Ganjoo, Samarth [1 ]
Kumar, Pradeep [1 ]
Goel, Nikita [1 ]
Yadav, Monika [2 ]
Verma, Anita Kamra [2 ,3 ]
Bhagat, Sunita [1 ,3 ]
机构：
[1] Univ Delhi, ARSD Coll, Dept Chem, Organ Synth Res Lab, Delhi 110021, India
[2] Univ Delhi, Kirori Mal Coll, Dept Zool, Nanobiotech Lab, Delhi 110007, India
[3] Univ Delhi, Delhi Sch Publ Hlth, Inst Eminence, Delhi 110007, India
来源：
CHEMISTRYSELECT | 2024年 / 9卷 / 34期
关键词：
Anti-cancer; 1; Natural product 2; Molecular docking 3; Indoles; 4; Cytotoxicity; 5; EXPRESSION; ANALOGS;
D O I：
10.1002/slct.202401308
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Breast cancer is a potentially deadly disease that affects millions of individuals worldwide. Therefore, it is crucial to design highly targeted therapeutic techniques with low toxicity. In this work, we synthesized natural product Herdmanine's ester derivatives and tested them against EGFR and HER2 proteins as multitargated inhibitor of breast cancer progression. Further, the newly synthesized compounds were evaluated for cytotoxicity against breast cancer cell lines MCF-7, MDA-MB-231 and MDA-MB-157 and the biocompatibility towards NIH 3T3 cells. Higher toxicity and positive viability profiles of Herdmanine derivatives indicate their potential use for further exploration in breast cancer application.
引用
收藏
页数：8
相关论文
共 50 条
  • [1] Design, synthesis, molecular docking and antiproliferative activity of some novel benzothiazole derivatives targeting EGFR/HER2 and TS
    Abdellatif, Khaled R. A.
    Belal, Amany
    El-Saadi, Mohamed T.
    Amin, Noha H.
    Said, Eman G.
    Hemeda, Loah R.
    BIOORGANIC CHEMISTRY, 2020, 101
  • [2] Synthesis, cytotoxic evaluation, and molecular docking studies of novel quinazoline derivatives with benzenesulfonamide and anilide tails: Dual inhibitors of EGFR/HER2
    Alkahtani, Hamad M.
    Abdalla, Ashraf N.
    Obaidullah, Ahmad J.
    Alanazi, Mohammed M.
    Almehizia, Abdulrahman A.
    Alanazi, Mashael G.
    Ahmed, Ahmed Y.
    Alwassil, Osama I.
    Darwish, Hany W.
    Abdel-Aziz, Alaa A. -M.
    El-Azab, Adel S.
    BIOORGANIC CHEMISTRY, 2020, 95
  • [3] Dual Kinase Inhibition of EGFR/HER2: Design, Synthesis and Molecular Docking of Thiazolylpyrazolyl-Based Aminoquinoline Derivatives as Anticancer Agents**
    Batran, Rasha Z.
    El-Kashak, Walaa A.
    El-Daly, Sherien M.
    Ahmed, Eman Y.
    CHEMISTRYSELECT, 2021, 6 (40): : 11012 - 11021
  • [4] Molecular docking and molecular dynamic studies: screening of phytochemicals against EGFR, HER2, estrogen and NF-KB receptors for their potential use in breast cancer
    Purawarga Matada, Gurubasavaraj Swamy
    Dhiwar, Prasad Sanjay
    Abbas, Nahid
    Singh, Ekta
    Ghara, Abhishek
    Das, Arka
    Bhargava, Sapna Vyas
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (13): : 6183 - 6192
  • [5] Azole-hydrazone derivatives: Design, synthesis, in vitro biological evaluation, dual EGFR/HER2 inhibitory activity, cell cycle analysis and molecular docking study as anticancer agents
    Labib, Madlen B.
    Philoppes, John N.
    Lamie, Phoebe F.
    Ahmed, Esam R.
    BIOORGANIC CHEMISTRY, 2018, 76 : 67 - 80
  • [6] Molecular docking and dynamic simulation to identify potential phytocompound inhibitors for EGFR and HER2 as anti-breast cancer agents
    Prabhavathi, H.
    Dasegowda, K. R.
    Renukananda, K. H.
    Karunakar, Prashantha
    Lingaraju, K.
    Raja Naika, H.
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (10): : 4713 - 4724
  • [7] Molecular docking studies of novel s-triazine derivatives incorporating amino methoxy chalcone for EGFR inhibitor in breast cancer
    Dona, Rahma
    Rizki, Rahmi Asrina
    Jasril, Jasril
    Frimayanti, Neni
    Hendra, Rudi
    PHARMACY EDUCATION, 2024, 24 (02): : 172 - 178
  • [8] New 2-alkoxycyanopyridine derivatives as inhibitors of EGFR, HER2, and DHFR: Synthesis, anticancer evaluation, and molecular modeling studies
    Hawas, Samia S.
    El-Sayed, Selwan M.
    Elzahhar, Perihan A.
    Moustafa, Mohamed A.
    BIOORGANIC CHEMISTRY, 2023, 141
  • [9] Synthesis, anticancer activity and molecular docking of new pyrazolo[1,5-a]pyrimidine derivatives as EGFR/HER2 dual kinase inhibitors
    Sivaiah G.
    Raveesha R.
    Prasad S.B.B.
    Kumar K.Y.
    Raghu M.S.
    Alharethy F.
    Prashanth M.K.
    Jeon B.-H.
    Journal of Molecular Structure, 2023, 1289
  • [10] Discovery of Anti-Breast Cancer Thiophene Sulfonamide Derivatives: Design, Synthesis, Molecular Docking against EGFR, MM-PBSA, MD Simulations, ADME/Tox, and in vitro Studies
    Patel, Ashish K.
    Shah, Ujashkumar A.
    Soni, Jigar Y.
    Metwaly, Ahmed M.
    Elkaeed, Eslam B.
    Eissa, Ibrahim H.
    Teli, Divya M.
    Patel, Purvesh R.
    Patel, Bhavin H.
    Valand, Nikunj
    Patel, Manish B.
    CHEMISTRYSELECT, 2023, 8 (27):
12345