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Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase

It is proposed that Ralteg Gravir, Paritaprevir, Bictegravir and DolutegravIR are excellent lead candidates for these crucial proteins and they could become potential therapeutic drugs against SARS-CoV-2.
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Biological evaluation of gallic acid and quercetin derived from Ceriops tagal: insights from extensive in vitro and in silico studies

The present study provides key insights about the importance of polyphenols, and thus leads to open the therapeutic route for anti-cancer drug discovery process.
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Identification of promising antiviral drug candidates against non-structural protein 15 (NSP15) from SARS-CoV-2: an in silico assisted drug-repurposing study

It is proposed that Simeprevir and Paritaprevir are promising drug candidates to inhibit NSP15 and may act as potential therapeutic agents against SARS-CoV-2.
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Targeting Novel Coronavirus 2019: A Systematic Drug Repurposing Approach to Identify Promising Inhibitors Against 3C-like Proteinase and 2'-O-Ribose Methyltransferase

It is proposed that Ralteg Gravir, Paritaprevir, Bictegravir and DolutegravIR are excellent lead candidates for these crucial proteins and they could become potential therapeutic drugs against 2019-nCoV.
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Molecular interactions of ceftazidime with bovine serum albumin: Spectroscopic, molecular docking, and DFT analyses

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A comprehensive review on promising anti-viral therapeutic candidates identified against main protease from SARS-CoV-2 through various computational methods

This review provides comprehensive information of potential inhibitors identified through several computational methods thus far against 3CLpro from SARS-CoV-2 and provides a better understanding of their interaction patterns and dynamic states of free and ligand-bound 3CL Pro structures.
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Analysis of CYP3A4-HIV-1 protease drugs interactions by computational methods for Highly Active Antiretroviral Therapy in HIV/AIDS.

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ZifBASE: a database of zinc finger proteins and associated resources

A database is established to maintain the information of the sequence features, including the class, framework, number of fingers, residues, position, recognition site and physio-chemical properties of both natural and engineered zinc finger proteins and dissociation constant of few.
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Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA…

Four promising molecules were identified based on the estimated binding affinities and catalytic residue interactions and drug-like properties and suggested that ZINC19221101 and ZINC12454357 could act as most promising candidates for inhibiting the function of MurD ligase and aid in drug discovery and development against A.baumannii.
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A framework for classification of antifreeze proteins in over wintering plants based on their sequence and structural features

The proposed classification scheme in over wintering plants can be useful in searching the newly sequenced plant genome for putative AFPs or designing an engineered construct helpful for several industrial and biomedical applications.
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