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- W3095864718 abstract "The world of the twenty-first century has not experienced such a lockdown situation before, which leads to a complete shutdown of economy not until the novel coronavirus disease 2019 (COVID-19) came caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). It becomes an unacceptable global threat to human lives. The COVID-19 has been known only worldwide in the last few months, but it is spreading in a speed of light from Wuhan, China, to the rest of the world. About 2 crore of people have been infected and more than 7 lakh of people have died worldwide till now due to the deadly SARS-CoV-2 infection. There are still no drugs exclusively available in the market for the treatment of SARS-CoV-2 infection, though supportive treatment of hydroxychloroquine, ribavirin, favipiravir, and remdesivir have shown clinical evidences to treat COVID-19. Therefore, it is utmost importance for the medicinal chemists to design and discover novel drugs urgently to rescue or to protect the humanity worldwide from this deadly virus. However, lack of experimental evidences and understanding the behavior of the SARS-CoV-2 within this short period may hinder the process of drug discovery. Still a ray of hope resides in the structural features of SARS-CoV-2 and related coronaviruses (SARS-CoV and MERS-CoV) as these are homologous. Therefore, depending on the established viral target proteins (spike protein, ACE-2, 3CLpro, PLpro, RdRp, helicase, as well as other viral proteins), novel chemical entities may be designed. In this context, several computational modeling approaches (generally structure-based modeling techniques) may be utilized which are cost-effective and less time-consuming. Different structure-based modeling techniques, namely, homology modeling, robust molecular docking, molecular dynamics simulation, and structure-based pharmacophore mapping followed by in silico virtual screening, may be effective and fruitful approaches to design compounds against SARS-CoV-2. In this chapter, various structure-based drug design and discovery strategies from target identification that could be optimized against SARS-CoV-2 have been discussed in detail. Additionally, ongoing and previously reported computational modeling techniques performed by different groups of researchers on various SARS-CoV-2 target proteins have been highlighted elaborately. In addition to the identification techniques of drugs, this chapter also discloses their binding mode of action along with the pharmacokinetics and toxicity criteria computed by modeling techniques. This chapter, therefore, may be a stepping-stone for the researchers to open up a new horizon in the discovery of novel anti-coronavirus drugs in the future." @default.
- W3095864718 created "2020-11-09" @default.
- W3095864718 creator A5006932711 @default.
- W3095864718 creator A5015309237 @default.
- W3095864718 creator A5072437390 @default.
- W3095864718 date "2020-01-01" @default.
- W3095864718 modified "2023-09-26" @default.
- W3095864718 title "Dissecting the Drug Development Strategies Against SARS-CoV-2 Through Diverse Computational Modeling Techniques" @default.
- W3095864718 cites W1515106427 @default.
- W3095864718 cites W1517000857 @default.
- W3095864718 cites W1538277030 @default.
- W3095864718 cites W1544561280 @default.
- W3095864718 cites W1585610099 @default.
- W3095864718 cites W1965280032 @default.
- W3095864718 cites W1966238900 @default.
- W3095864718 cites W1967407510 @default.
- W3095864718 cites W1974537972 @default.
- W3095864718 cites W1978623713 @default.
- W3095864718 cites W1980481311 @default.
- W3095864718 cites W1981979160 @default.
- W3095864718 cites W1984795066 @default.
- W3095864718 cites W1985360059 @default.
- W3095864718 cites W1989969147 @default.
- W3095864718 cites W1990649962 @default.
- W3095864718 cites W1993577573 @default.
- W3095864718 cites W1995042237 @default.
- W3095864718 cites W2006286994 @default.
- W3095864718 cites W2009398581 @default.
- W3095864718 cites W2010109835 @default.
- W3095864718 cites W2014509089 @default.
- W3095864718 cites W2020629025 @default.
- W3095864718 cites W2020816047 @default.
- W3095864718 cites W2022879707 @default.
- W3095864718 cites W2025977980 @default.
- W3095864718 cites W2027484375 @default.
- W3095864718 cites W2028316542 @default.
- W3095864718 cites W2028504310 @default.
- W3095864718 cites W2030658137 @default.
- W3095864718 cites W2046153984 @default.
- W3095864718 cites W2046186249 @default.
- W3095864718 cites W2058625821 @default.
- W3095864718 cites W2059174340 @default.
- W3095864718 cites W2061191256 @default.
- W3095864718 cites W2061768441 @default.
- W3095864718 cites W2061914800 @default.
- W3095864718 cites W2064076043 @default.
- W3095864718 cites W2066725690 @default.
- W3095864718 cites W2071466183 @default.
- W3095864718 cites W2071761665 @default.
- W3095864718 cites W2079255671 @default.
- W3095864718 cites W2081909077 @default.
- W3095864718 cites W2092581586 @default.
- W3095864718 cites W2093427616 @default.
- W3095864718 cites W2098086455 @default.
- W3095864718 cites W2099549544 @default.
- W3095864718 cites W2100593398 @default.
- W3095864718 cites W2101506295 @default.
- W3095864718 cites W2102109092 @default.
- W3095864718 cites W2105149323 @default.
- W3095864718 cites W2112147913 @default.
- W3095864718 cites W2117730239 @default.
- W3095864718 cites W2121719851 @default.
- W3095864718 cites W2126511940 @default.
- W3095864718 cites W2126918460 @default.
- W3095864718 cites W2127531900 @default.
- W3095864718 cites W2131262274 @default.
- W3095864718 cites W2131988685 @default.
- W3095864718 cites W2134092129 @default.
- W3095864718 cites W2140388343 @default.
- W3095864718 cites W2140674451 @default.
- W3095864718 cites W2145943872 @default.
- W3095864718 cites W2148955224 @default.
- W3095864718 cites W2158812536 @default.
- W3095864718 cites W2161572568 @default.
- W3095864718 cites W2163761019 @default.
- W3095864718 cites W2165954387 @default.
- W3095864718 cites W2255243349 @default.
- W3095864718 cites W2277502045 @default.
- W3095864718 cites W2296414617 @default.
- W3095864718 cites W2306794997 @default.
- W3095864718 cites W2418376386 @default.
- W3095864718 cites W2470646526 @default.
- W3095864718 cites W2482164531 @default.
- W3095864718 cites W2511518652 @default.
- W3095864718 cites W2544460047 @default.
- W3095864718 cites W2605692774 @default.
- W3095864718 cites W2736005468 @default.
- W3095864718 cites W2790185928 @default.
- W3095864718 cites W2792420878 @default.
- W3095864718 cites W2886321229 @default.
- W3095864718 cites W2888130829 @default.
- W3095864718 cites W2889351888 @default.
- W3095864718 cites W2909194930 @default.
- W3095864718 cites W2914796231 @default.
- W3095864718 cites W2937204944 @default.
- W3095864718 cites W2945874572 @default.
- W3095864718 cites W2947642275 @default.
- W3095864718 cites W2947817007 @default.