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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 16
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Research Articles

Flavonoids as promising anticancer agents: an in silico investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations

Avadh Bihareea Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, India;d School of Pharmaceutical Sciences, Guru Ghasidas Central University, Bilaspur, Chhattisgarh, IndiaORCID Iconhttps://orcid.org/0000-0003-0153-2941View further author information
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Arpita Yadavb R.K. College of Pharmacy, Prayagraj, Uttar Pradesh, IndiaORCID Iconhttps://orcid.org/0000-0002-2316-1144View further author information
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Kailash Jangidc Department of Pharmacy, Central University of Rajasthan, Ajmer, Rajasthan, IndiaORCID Iconhttps://orcid.org/0000-0003-1899-4456View further author information
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Yogesh Singha Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, IndiaORCID Iconhttps://orcid.org/0000-0001-5626-1486View further author information
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Swanand Kulkarnia Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, IndiaORCID Iconhttps://orcid.org/0000-0002-0237-3826View further author information
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Devesh M. Sawantc Department of Pharmacy, Central University of Rajasthan, Ajmer, Rajasthan, IndiaORCID Iconhttps://orcid.org/0000-0001-7266-1316View further author information
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Pradeep Kumara Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, IndiaORCID Iconhttps://orcid.org/0000-0002-4284-2826View further author information
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Suresh Tharejaa Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, Punjab, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-7668-462XView further author information
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Akhlesh Kumar Jaind School of Pharmaceutical Sciences, Guru Ghasidas Central University, Bilaspur, Chhattisgarh, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-6420-9773View further author information
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Pages 7835-7846 | Received 07 Feb 2022, Accepted 11 Sep 2022, Published online: 27 Sep 2022

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Kaliraj Chandran, Azar Zochedh, Asath Bahadur Sultan & Thandavarayan Kathiresan. (2023) Synthesis of 1-Piperoylpiperidine Investigated Through Spectroscopy, Quantum Computation, Pharmaceutical Activity, Docking and MD Simulation Against Breast Cancer. Polycyclic Aromatic Compounds 0:0, pages 1-35.
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Kailash Jangid, Bharti Devi, Ashrulochan Sahoo, Vijay Kumar, Ashish Ranjan Dwivedi, Suresh Thareja, Rajnish Kumar & Vinod Kumar. (2023) Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer’s disease. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Articles from other publishers (2)

Raghunath Satpathy. (2023) In-silico Prediction of Drug Target, Molecular Modeling, and Docking Study of Potential Inhibitors against Burkholderia pseudomallei. Journal of Biochemical Technology 14:1, pages 13-21.
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Aleksandra Golonko, Adam Jan Olichwier, Renata Swislocka, Lukasz Szczerbinski & Włodzimierz Lewandowski. (2022) Why Do Dietary Flavonoids Have a Promising Effect as Enhancers of Anthracyclines? Hydroxyl Substituents, Bioavailability and Biological Activity. International Journal of Molecular Sciences 24:1, pages 391.
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