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Polycyclic Aromatic Compounds Volume 44, 2024 - Issue 3
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Research Articles

DFT Simulation of Berberine Chloride with Spectroscopic Characterization – Biological activity and Molecular Docking against Breast Cancer

Azar Zochedha Department of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil, IndiaORCID Iconhttps://orcid.org/0000-0001-9818-5071View further author information
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Kaliraj Chandrana Department of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil, IndiaORCID Iconhttps://orcid.org/0000-0002-1226-4869View further author information
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Mohana Priyab Department of Bioinformatics, Bharathiar University, Coimbatore, IndiaORCID Iconhttps://orcid.org/0000-0002-9627-4721View further author information
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Asath Bahadur Sultanc Condensed Matter Physics Laboratory, Department of Physics, International Research Center, Kalasalingam Academy of Research and Education, Krishnankoil, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-4552-7354View further author information
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Thandavarayan Kathiresana Department of Biotechnology, Kalasalingam Academy of Research and Education, Krishnankoil, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-0956-9063View further author information
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Pages 1556-1580 | Received 24 Jan 2023, Accepted 05 Apr 2023, Published online: 20 Apr 2023

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Mohana Priya, Azar Zochedh, Karthikeyan Palaniyandi, Athimoolam Shunmuganarayanan & Asath Bahadur Sultan. (2024) Combinatorial Effect of Syringic Acid-Pyrazinamide Adduct against Luminal Type Breast Cancer Investigated through DFT, Drug-Likeness, and Molecular Docking Simulation. Polycyclic Aromatic Compounds 44:3, pages 2090-2118.
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Mohana Priya, Karthick Arumugam, Cibe Chakaravarthy, Kaliraj Chandran, Asath Bahadur Sultan & Azar Zochedh. (2024) Graph Theory Network, Molecular Docking, Quantum Chemicals and Pharmacokinetics-Based Investigation on Phytochemicals from Sida rhombifolia against Alzheimer’s Disease. Polycyclic Aromatic Compounds 44:3, pages 1947-1970.
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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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Articles from other publishers (2)

Sureba Sukumaran, Azar Zochedh, Kaliraj Chandran, Asath Bahadur Sultan & Thandavarayan Kathiresan. (2024) Exploring the co‐activity of FDA approved drug gemcitabine and docetaxel for enhanced anti‐breast cancer activity: DFT , docking, molecular dynamics simulation and pharmacophore studies . International Journal of Quantum Chemistry 124:4.
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Syed Dilshad Alam, Mirza Adil Beg, Muralidhararao Bagadi, Marcello Locatelli, Zeid A. ALOthman, Mohd Mustaqeem & Imran Ali. (2023) Facile extraction of berberine from different plants, separation, and identification by thin‐layer chromatography, high‐performance liquid chromatography, and biological evaluation against Leishmaniosis. Journal of Separation Science 46:21.
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