Identification of Natural Lead Compounds against Hemagglutinin-Esterase Surface Glycoprotein in Human Coronaviruses Investigated via MD Simulation, Principal Component Analysis, Cross-Correlation, H-Bond Plot and MMGBSA

Identification of Natural Lead Compounds against Hemagglutinin-Esterase Surface Glycoprotein in Human Coronaviruses Investigated via MD Simulation, Principal Component Analysis, Cross-Correlation, H-Bond Plot and MMGBSA

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The pandemic outbreak of human coronavirus is a global health concern that affects people of all ages and genders, but there is currently still no effective, approved and potential drug against human coronavirus, as many other coronavirus vaccines have serious side effects while the development of s...

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Bibliographic Details
Main Authors: Iqra Ali, Muhammad Asif Rasheed, Simona Cavalu, Kashif Rahim, Sana Ijaz, Galal Yahya, Lucky Poh Wah Goh, Mihaela Simona Popoviciu
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Biomedicines
Subjects:
hemagglutinin esterase
human coronaviruses
lead compounds
molecular docking
pharmacophore model
MD simulation
Online Access:https://www.mdpi.com/2227-9059/11/3/793

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