2026-05-17T05:52:37Zhttps://repisalud.isciii.es/rest/oai/request

oai:repisalud.isciii.es:20.500.12105/232062024-11-29T01:05:37Zcom_20.500.12105_15322com_20.500.12105_2051col_20.500.12105_16967

00925njm 22002777a 4500 dc Prasad, Shashanka K author Pradeep, Sushma author Shimavallu, Chandan author Kollur, Shiva Prasad author Syed, Asad author Marraiki, Najat author Egbuna, Chukwuebuka author Gaman, Mihnea-Alexandru author Kosakowska, Olga author Cho, William C author Patrick-Iwuanyanwu, Kingsley Chukwuemeka author Ortega Castro, Joaquin author Frau, Juan author Flores-Holguin, Norma author Glossman-Mitnik, Daniel author 2021-01-27 Annona muricata, a tropical plant which has been extensively used in ethnomedicine to treat a wide range of diseases, from malaria to cancer. Interestingly, this plant has been reported to demonstrate significant antiviral properties against the human immunodeficiency virus, herpes simplex virus, human papilloma virus, hepatitis C virus and dengue virus. Additionally, the bioactive compounds responsible for antiviral efficacy have also shown to be selectively cytotoxic while inhibiting tumorigenic cell growth without affecting the normal cell growth. Annonaceous Acetogenins are a class of bioactive compounds exclusive to the Annonaceae family at which the plant A. muricata belongs. In the current study, we have created a library of Acetogenins unique to the plant, comprising of Annomuricin A, Annomuricin B, Annomuricin C, Muricatocin C, Muricatacin, cis-Annonacin, Annonacin-10-one, cis-Goniothalamicin, Arianacin and Javoricin, for in silico and theoretical evaluations against the SARS-CoV-2 spike protein in an attempt toward promotion of plant based drug development for the current pandemic of coronavirus disease 2019 (COVID-19). We found that all the Acetogenins showing in silico spike protein significantly docking with good binding affinities. Moreover, we envision A. muricata Acetogenins can be further studied by in vitro and in vivo models to identify potential anti-SARS-CoV-2 agents. Prasad SK, Pradeep S, Shimavallu C, Kollur SP, Syed A, Marraiki N, et al. Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches. Front Chem. 2021 Jan 27;8:624716. 10.3389/fchem.2020.624716 2296-2646 Frontiers in Chemistry https://hdl.handle.net/20.500.13003/19583 33732682 2-s2.0-85100899335 https://hdl.handle.net/20.500.12105/23206 619676200001 Annonaceous acetogenins COVID-19 in silico Molecular docking Molecular dynamics simulation study Annona muricata Evaluation of Annona muricata Acetogenins as Potential Anti-SARS-CoV-2 Agents Through Computational Approaches