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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 14
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Research Articles

3D-QSAR and docking studies on ursolic acid derivatives for anticancer activity based on bladder cell line T24 targeting NF-kB pathway inhibition

Deepika YadavDepartment of Metabolic and Structural Biology, CSIR – Central Institute of Medicinal and Aromatic Plants, Lucknow, Uttar Pradesh, India; ;Department of Biotechnology, Institute of Engineering and Technology (Dr. A.P.J. Abdul Kalam Technical University), Lucknow, Uttar Pradesh, IndiaView further author information
,
Bhartendu Nath MishraDepartment of Biotechnology, Institute of Engineering and Technology (Dr. A.P.J. Abdul Kalam Technical University), Lucknow, Uttar Pradesh, IndiaView further author information
&
Feroz KhanDepartment of Metabolic and Structural Biology, CSIR – Central Institute of Medicinal and Aromatic Plants, Lucknow, Uttar Pradesh, India; Correspondence[email protected]
View further author information
Pages 3822-3837 | Received 01 Jun 2018, Accepted 20 Sep 2018, Published online: 31 Dec 2018

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Said Bitam, Mabrouk Hamadache & Salah Hanini. (2023) Targeting bladder cancer with Trigonella foenum-graecum: a computational study using network pharmacology and molecular docking. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-8.
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Yinli Gao, Hanxun Wang, Jian Wang & Maosheng Cheng. (2020) In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation. Journal of Biomolecular Structure and Dynamics 38:14, pages 4119-4133.
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Deepika Yadav, Bhartendu Nath Mishra & Feroz Khan. (2020) Quantitative structure-activity relationship and molecular docking studies on human proteasome inhibitors for anticancer activity targeting NF-κB signaling pathway. Journal of Biomolecular Structure and Dynamics 38:12, pages 3621-3632.
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Articles from other publishers (7)

Mohammed Er-rajy, Mohamed El fadili, Somdutt Mujwar, Hamada Imtara, Omkulthom Al kamaly, Samar Zuhair Alshawwa, Fahd A. Nasr, Sara Zarougui & Menana Elhallaoui. (2023) Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies. Arabian Journal of Chemistry 16:10, pages 105193.
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Ting‐Ting Zhao, Lei Liu, Ying‐Li Wu, Kang‐Ping Sun & Jing‐Yong Sun. (2023) Design, Synthesis, and Evaluation of Kirenol Derivatives as MMP‐8 Inhibitors with Anti‐inflammatory Activity. ChemistrySelect 8:19.
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Agneesh Pratim Das & Subhash Mohan Agarwal. (2023) Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches. Molecular Diversity.
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Jun Ho Lee, Jung Yoon Jang, Young Hoon Kwon, Seung Ho Lee, Cheol Park, Yung Hyun Choi & Nam Deuk Kim. (2023) Effects of Rosemary Extract on C2C12 Myoblast Differentiation and 5-Aminoimidazole-4-carboxamide Ribonucleoside (AICAR)-Induced Muscle Cell Atrophy. Applied Sciences 13:2, pages 986.
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Neetu Singh & Surender Singh Yadav. (2022) Ethnomedicinal uses of Indian spices used for cancer treatment: A treatise on structure-activity relationship and signaling pathways. Current Research in Food Science 5, pages 1845-1872.
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Qian Wang, Mei Jin, Yandan Liu, Lei Sun, Bo Lu, Longxuan Zhao & Gao Li. (2021) Synthesis, characterization and in vitro anti-proliferative effects of pentacyclic triterpenoids. Medicinal Chemistry Research.
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Jonatas Rafael de Oliveira, Samira Esteves Afonso Camargo & Luciane Dias de Oliveira. (2019) Rosmarinus officinalis L. (rosemary) as therapeutic and prophylactic agent. Journal of Biomedical Science 26:1.
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