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    Article

    In silico Studies on the Therapeutic Potential of Novel Marker Compounds Isolated from Chemically Modified Bioactive Fraction from Curcuma longa (Non-carbonyl Curcuma longa)

    Arshi Naqvi2,3★, Reem A. K. Al‑Harbi2, Samah Ali2,4, Richa Malasoni3, Swati Gupta3, Anil Kumar Dwivedi3★ Corresponding author

    1. 1Department of Chemistry, College of Science, Taibah University, Al‑Madina Al‑Munawwara, Saudi Arabia.
    2. 2Pharmaceutics Division, CSIR‑Central Drug Research Institute, Lucknow, Uttar Pradesh, India.
    3. 3Vitamins, The National Organization for Drug Control and Research, Al‑Agouzah, Giza, Egypt.

    CORRESPONDENCE

    Arshi Naqvi

    Pharmaceutics Division, CSIR‑Central Drug Research Institute, Lucknow, Uttar Pradesh, India.

    arshi_84@yahoo.com

    Received: 31-07-2020; Revised: 23-11-2020; Accepted: 03-12-2020.

    Volume 17, Issue 74 · pp. 263–267 · PUBLISHED 12 July 2021 · DOI: 10.4103/pm.pm_317_20

    View on Pharmacogn. Mag. original site ↗

    ABSTRACT

    Objectives: In the present study, novel marker compounds (A and B) have been successfully isolated from NCCL and their various in silico traits and interactions were studied. Materials and Methods: Marker compounds A and B were characterized utilizing various spectroscopic data (one‑dimensional [1D]/2D Nuclear Magnetic Resonance (NMR), mass spectrometry, and infrared). Isolated compounds were subjected to in silico computational tools for predicting their drug‑likeness, pharmacokinetic, pharmacodynamic properties. Results: Both compounds A and B flaunted drug‑like properties by following the standard descriptors along with good in silico absorption. Conclusion: Novel marker compounds A and B were successfully isolated from NCCL and fully characterized utilizing spectroscopic techniques. Both the compounds displayed good drug‑like properties.

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      Naqvi, A., Al‑Harbi, R. A. K., Ali, S., Malasoni, R., Gupta, S., & Dwivedi, A. K. (2021). In silico Studies on the Therapeutic Potential of Novel Marker Compounds Isolated from Chemically Modified Bioactive Fraction from Curcuma longa (Non-carbonyl Curcuma longa). Pharmacognosy Magazine, 17(74), 263–267. https://doi.org/10.4103/pm.pm_317_20