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Browsing by Author "Kalaiarasi, C."

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Charge density and electrostatic potential of hepatitis C anti-viral agent andrographolide: An experimental and theoretical study

Manjula, S.; Kalaiarasi, C.; Pavan, M.S.; Hathwar, V.R.; Kumaradhas, P. (Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. B74; 2018; ArticleID_4981.)

Andrographolide (AGH) is a hepatitis C anti-viral agent which targets the host cell by covalently binding with the NF-K Breceptor. The experimental electron density distribution study of AGH has been carried out from ...
Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole

Kalaiarasi, C.; George, C.; Gonnade, R.G.; Hathwar, V.R.; Kumaradhas, P. (Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 75(6); 2019; 942-953.)

Metronidazole is a radiosensitizer; it crystallizes in the monoclinic system with space group P2 sub(1) /c. The crystal structure of metronidazole has been determined from high-resolution X-ray diffraction measurements at ...
Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study

Kalaiarasi, C.; Sivanandam, M.; Suganya, S.; Christy, G.; Gonnade, R.G.; Hathwar, V.R.; Kumaradhas, P. (Journal of Molecular Structure. 1220; 2020; ArticleID_128714.)

Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to ...

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