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June 28, 2021Journal of Biomolecular Structure and Dynamics45 citations

Study of potentiality of dexamethasone and its derivatives against Covid-19

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DMDebanjan MitraMPManish PaulHTHrudayanath Thatoi

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Abstract

interactions of dexamethasone and its derivatives against the multiple proteins of SARS-CoV-2 with the help of various computational methods. Descriptor parameters revealed their non-toxic effect in the human body. Ultimately docking studies and molecular dynamic simulation on those target protein by dexamethasone and its derivatives showed a high binding energy. Dexamethasone showed -9.8 kcal/mol and its derivative D5 showed -12.1 kcal/mol binding energy. Those scores indicate that dexamethasone has more therapeutic effect on SARS CoV-2 than other currently used drugs. Derivatives give the clue for the synthesis of a novel drug to remove SARS CoV-2. Until then, dexamethasone will be used as a potential inhibitor of SARS CoV-2.Communicated by Ramaswamy H. Sarma.

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Mitra et al. (2021) studied this question.

synapsesocial.com/papers/6a209ff56236d09b9bcd3383https://doi.org/10.1080/07391102.2021.1942210
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