In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity

May 2023
Vol-9, Issue-3
Paper ID: 20172
ISSN: 2395-4396
Downloads: 0

Abstract & Details

Research Area
Pharmaceutical Chemistry
Keywords
Plumeria rubra Lepeol Molecular Docking PyRx Vina auto dock Chemsketch ADMET Prediction.
Abstract
The Apocynaceae family includes the laticiferous trees and bushes known as Plumeria rubra L (also known as Lal champa in Hindi and True Frangipani in English). In the tropical and subtropical parts of the world, these species' plants are widely farmed. The usage of leaves includes stimulant, antipyretic, antifungal, antibacterial, bronchitis, cholera, colds, and coughs.The binding affinity and interactions with amino acids of phytochemicals were evaluated. Target protein protein homology modeling, protein structure validation, and energy minimization were all completed. A comparative in-silico docking analysis with the standard drug was conducted using phytochemicals that had been mentioned in the literature as having properties related to Alzheimer’s activities. These phytochemicals were studied for their absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and those that passed ADMET filters. Using AutoDock Vina, a preliminary docking study was performed, then AutoDock 4.2.6 and SwissDock were used to validate the results.
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Author Information

# Name Institute / Affiliation
1 Vaibhav N. Mohare Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
2 Alpana J. Asnani Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
3 Samiksha R. Mehare Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
4 Swapnja B. Gunjarkar Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
5 Monika W. Parate Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
6 Aditya R. Kaikade Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016
7 Tina W. Pandel Priyadarshini J. L. College of Pharmacy, Nagpur, Maharashtra, India – 440016

How to Cite

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APA Style
Mohare, Vaibhav N., Asnani, Alpana J., Mehare, Samiksha R., Gunjarkar, Swapnja B., Parate, Monika W., Kaikade, Aditya R., & Pandel, Tina W. (2023). In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity. International Journal of Advance Research and Innovative Ideas In Education, 9(3), 879-885.
MLA Style
Mohare, Vaibhav N., et al. "In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity." International Journal of Advance Research and Innovative Ideas In Education, vol. 9, no. 3, 2023, pp. 879-885.
IEEE Style
Vaibhav N. Mohare, Alpana J. Asnani, Samiksha R. Mehare, Swapnja B. Gunjarkar, Monika W. Parate, Aditya R. Kaikade, and Tina W. Pandel, "In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity," International Journal of Advance Research and Innovative Ideas In Education, vol. 9, no. 3, pp. 879-885, 2023.
Vancouver Style
Mohare Vaibhav N., Asnani Alpana J., Mehare Samiksha R., Gunjarkar Swapnja B., Parate Monika W., Kaikade Aditya R., et al. In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity. International Journal of Advance Research and Innovative Ideas In Education. 2023;9(3):879-885.
Harvard Style
Mohare, Vaibhav N., Asnani, Alpana J., Mehare, Samiksha R., Gunjarkar, Swapnja B., Parate, Monika W., Kaikade, Aditya R., & Pandel, Tina W. (2023) 'In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity', International Journal of Advance Research and Innovative Ideas In Education, 9(3), pp. 879-885.
Chicago Style
Mohare, Vaibhav N., et al. "In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity." International Journal of Advance Research and Innovative Ideas In Education 9, no. 3 (2023): 879-885.
Turabian Style
Mohare, Vaibhav N., et al. "In-Silico Studies, Characterization, ADMET Prediction, and Molecular Docking of Plumeria Rubra Linn Constituents and Their Alzheimer’s Activity." International Journal of Advance Research and Innovative Ideas In Education 9, no. 3 (2023): 879-885.

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