ACD/ChemSketch, version 2019.1.0, Advanced Chemistry Development Inc., Toronto, ON, Canada, www.acdlabs.com., 2020.
Al Jassani MJ, Mohammed GJ, Hameed IH (2016). Analysis of bioactive chemical compounds of Aspergillus fumigatus and evaluation of antifungal activity using twenty- seven medicinal plants (2016). Int J Pharm Bio Sci; 7(3): (B) 191 – 204.
AlKhafaji K, Al-Duhaidahawi LD, Taskin Tok T (2020). Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2. J. Biomol. Struc. Dyn., 1–11.
Anderson RM, Heesterbeek H, Klinkenberg D, Hollingsworth TD (2020) How will country-based mitigation measures influence the course of the COVID-19 epidemic? Lancet Infect Dis, 395(10228), 931-934.
Blanchard JE, Elowe N H, Huitema C, Fortin PD, Cechetto JD, Eltis LD, Brown E D (2004). High-throughput screening identifies inhibitors of the SARS coronavirus main proteinase. Chem. Biol, 11(10), 1445–1453. https://doi.org/10.1016/j.chembiol.2004.08.011.
Boopathi, S, Poma AB, Kolandaivel P (2020). Novel 2019 Coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment. J. Biomol. Struc. Dyn., 1–14.
Borgio JF, Alsuwat HS, AlOtaibi WM, Ibrahim AM, Almandil N, AlAsoom LI, Salahuddin M, Kamaraj B, AbdulAzeez S (2020). State-of-the-art tools unveil potent drug targets amongst clinically approved drugs to inhibit helicase in SARS-CoV-2. Arch Med Sci, 16(3),508–518. https://doi.org/10.5114/aoms.2020.94567
Boruta T (2018). Uncovering the repertoire of fungal secondary metabolites: From Fleming's laboratory to the International Space Station. Bioengineered, 9(1), 12-16.
Cameron CE, Castro C (2001). The mechanism of action of ribavirin: Lethal mutagenesis of RNA virus genomes mediated by the viral RNA-dependent RNA polymerase. Current Opinion in Infectious Diseases, 14(6), 757–764. https://doi.org/10.1097/00001432-200112000-00015
CG Benítez-Cardoza J.L. Vique-Sánchez Potential inhibitors of the interaction between ACE2 and SARS-CoV-2 (RBD), to develop a drug. Life Sci, 256 (2020), Article 117970, 10.1016/j.lfs.2020.117970
Chan JFW, Kok K H, Zhu Z, Chu H, To KKW, Yuan S, Yuen KY (2020). Genomic characterization of the 2019 novel human-pathogenic coronavirus isolated from a patient with atypical pneumonia after visiting Wuhan. Emerg. microbes & infect, 9(1), 221-236.
Choudhury A, Mukherjee S (2020) In silico studies on the comparative characterization of the interactions of SARS‐CoV‐2 spike glycoprotein with ACE‐2 receptor homologs and human TLRs. J. Med Virol, 92(10), 2105-2113.
Dahlin JL, Nissink JWM, Strasser JM, Francis S, Higgins L, Zhou H, Zhang Z, Walters MA (2015). PAINS in the assay: Chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS. J. Med. Chem, 58 (5), 2091–2113. https://doi.org/10.1021/jm5019093.
Das P, Majumder R, Mandal M, Basak P (2020). In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (Mpro) from flavonoid based phytochemical constituents of Calendula officinalis. J. Biomol. Struc. Dyn., 1-16.
Elfiky AA (2020) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: An in-silico perspective. J. Biomol. Struc. Dyn., 1–9.
Enmozhi SK, Raja K, Sebastine I, Joseph J (2020) Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in-silico approach. J. Biomol. Struc. Dyn., 1-7.
Genheden S, Ryde U (2015). The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities. Expert Opin. Drug Discov, 10(5), 449-461.
Gupta MK, Vemula S, Donde R, Gouda G, Behera L, Vadde R (2020) In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel. J. Biomol. Struc. Dyn., 1–11.
https://pubchem.ncbi.nlm.nih.gov/compound/12097#section=Metabolite-Description.
Jin Z, Du X, Xu Y, Deng Y, Liu M, Zhao Y, Zhang B, Li X, Zhang L, Peng C, Duan Y (2020b). Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature, 1–5.
Jin Z, Du X, Xu Y, Deng Y, Liu M, Zhao Y, Zhang B, Li X, Zhang L, Peng C, Duan Y. (2020a). Structure of Mpro from COVID-19 virus and discovery of its inhibitors. BioRxiv. https://doi.org/10.1101/2020.02.26.964882.
Khan, MT., Ali A., Wang Q, Irfan M, Khan A, Zeb MT, Wei DQ (2020) Marine natural compounds as potent inhibitors against the main protease of SARS-CoV-2. A molecular dynamic study. J. Biomol. Struc. Dyn., 1-14.
Krishnan DA, Sangeetha G, Vajravijayan S, Nandhagopal N, Gunasekaran K. (2020). Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15. Inform. Med. Unlocked, 100392.
Kumari R, Kumar R, Lynn A (2014). Open -Source Drug Discovery Consortium G_MMPBSA- A GROMACS tool for high-throughput MM-PBSA calculations. J Chem Inf Model, 54(7), 1951-1962.
Licastro D, Rajasekharan S, Dal Monego S, Segat L, D'Agaro P, Marcello A (2020) Isolation and full-length genome characterization of SARS-CoV-2 from COVID-19 cases in Northern Italy, J Virol.
Lu R, Zhao X, Li J, Niu P, Yang B, Wu H, Bi Y (2020) Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding. Lancet Infect Dis, 395(10224), 565-574.
Mittal L, Kumari A, Srivastava M, Singh M, Asthana S (2020) Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach. J. Biomol. Struc. Dyn., 1-26.
Nejadi Babadaei MM, Hasan A, Haj Bloukh S, Edis Z, Sharifi M, Kachooei E, Falahati M (2020). The expression level of angiotensin-converting enzyme 2 determine the severity of COVID-19: Lung and heart tissue as targets. J. Biomol. Struc. Dyn., 1–13.
Shrivastava M, Saraf A, (2019) Antimicrobial activity of bioactive molecules isolated from filamentous fungi. Int, res…sci, 8(3), 1-5.
Shrivastava M, Saraf A, Shukla KK, Sharma D, ISOLATION OF BIOACTIVE METABOLITES PRODUCING FUNGAL STRAINS FROM MILK AND MILK INDUSTRIES OF RAIPUR DISTRICT. World J Pharma Pharma Sci, 6(9), 1652-58.
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci. Rep. (2017) 7:42717.
The PyMol Molecular Graphics system, Version 2.0, Schrodinger,LLC.
Tyrrell DA, Bynoe ML (1966) Cultivation of viruses from a high proportion of patients with colds. Lancet Infect Dis: 1: 76–77.
Vijayabaskar G, Elango V (2018). Determination of phytocompounds in Withania somnifera and Smilax china using GC-MS. Journal of Pharmacognosy and Phytochemistry, 7(6), 554-557.
Wu C, Chen X, Cai Y, Zhou X, Xu S, Huang H, Song J. (2020). Risk factors associated with acute respiratory distress syndrome and death in patients with coronavirus disease 2019 pneumonia in Wuhan, China. JAMA. Intern. Med.
Zhou F, Yu T, Du R, Fan G, Liu Y, Liu Z, Guan L (2020) Clinical course and risk factors for mortality of adult inpatients with COVID-19 in Wuhan, China: a retrospective cohort study. Lancet Infect Dis.