Remdesivir analogs against SARS-CoV-2 RNA-dependent RNA polymerase

Ahmed, Sinthyia; Mahtarin, Rumana; Islam, Saiful; Das, Susmita; Mamun, Abdulla Al; Ahmed, Sayeda Samina; Ali, A.

doi:10.1080/07391102.2021.1955743

Cited by 11 publications

(10 citation statements)

References 76 publications

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“…This is why much research is conducted on the therapeutic efficacy of remdesivir. Many researchers link remdesivir with drug repurposing [ 56 ] and rdrp [ 57 ]. All the keywords were interrelated and addressed many current issues.…”

Section: Resultsmentioning

confidence: 99%

Mapping Scientific Productivity Trends and Hotspots in Remdesivir Research Publications: A Bibliometric Study from 2016 to 2021

Ogunsakin

Ebenezer

Jordaan

et al. 2022

IJERPH

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In response to global efforts to control and exterminate infectious diseases, this study aims to provide insight into the productivity of remdesivir research and highlight future directions. To achieve this, there is a need to summarize and curate evidence from the literature. As a result, this study carried out comprehensive scientific research to detect trends in published articles related to remdesivir using a bibliometric analysis. Keywords associated with remdesivir were used to access pertinent published articles using the Scopus database. A total of 5321 research documents were retrieved, primarily as novel research articles (n = 2440; 46%). The number of publications increased exponentially from 2020 up to the present. The papers published by the top 12 institutions focusing on remdesivir accounted for 25.69% of the overall number of articles. The USA ranked as the most productive country, with 906 documents (37.1%), equivalent to one-third of the global publications in this field. The most productive institution was Icahn School of Medicine, Mount Sinai, in the USA (103 publications). The New England Journal of Medicine was the most cited, with an h-index of 13. The publication of research on remdesivir has gained momentum in the past year. The importance of remdesivir suggests that it needs continued research to help global health organizations detect areas requiring instant action to implement suitable measures. Furthermore, this study offers evolving hotspots and valuable insights into the scientific advances in this field and provides scaling-up analysis and evidence diffusion on remdesivir.

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Section: Resultsmentioning

confidence: 99%

Mapping Scientific Productivity Trends and Hotspots in Remdesivir Research Publications: A Bibliometric Study from 2016 to 2021

Ogunsakin

Ebenezer

Jordaan

et al. 2022

IJERPH

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“…A radius of 15 °A around the control remdesivir-bound site was defined to perform molecular docking. A grid box was generated around the (RdRp) polymerase active site (the (A-G) conserved motifs) of the protein where the center was X: 126.174, Y: 130.592and Z: 129.7033 and the dimensions used were X: 44.7514, Y: 44.5709 and Z: 35.2935 in the search space as previously reported [ 27 ]. For grid generation in the case of Mpro, the information of the catalytic active site and substrate binding site residues coordinates was used as −12.0, 18.0, 65.0 Å along X-, Y- and Z-axes, respectively whereas dimension was considered as 26 × 28 × 30 Å respectively.…”

Section: Methodsmentioning

confidence: 99%

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Parihar

Sonia

Akter

et al. 2022

Computers in Biology and Medicine

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“…More studies used DFT to preoptimize the structures of compounds. 609 , 635 − 640 Additionally, the PM7 semiempirical quantum-chemical method was applied to binding calculations of Mpro, 641 , 642 RdRp, 643 PLpro, and S protein. 642 …”

Section: Methods and Approachesmentioning

confidence: 99%

“…This can explain how parthenolide and himachalene derivatives form. More studies used DFT to preoptimize the structures of compounds. ,− Additionally, the PM7 semiempirical quantum-chemical method was applied to binding calculations of Mpro, , RdRp, PLpro, and S protein …”

Section: Methods and Approachesmentioning

confidence: 99%

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

Gao¹,

Wang²,

Chen³

et al. 2022

Chem. Rev.

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Despite tremendous efforts in the past two years, our understanding of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune response, virulence, transmission, and evolution is still very limited. This limitation calls for further in-depth investigation. Computational studies have become an indispensable component in combating coronavirus disease 2019 (COVID-19) due to their low cost, their efficiency, and the fact that they are free from safety and ethical constraints. Additionally, the mechanism that governs the global evolution and transmission of SARS-CoV-2 cannot be revealed from individual experiments and was discovered by integrating genotyping of massive viral sequences, biophysical modeling of protein–protein interactions, deep mutational data, deep learning, and advanced mathematics. There exists a tsunami of literature on the molecular modeling, simulations, and predictions of SARS-CoV-2 and related developments of drugs, vaccines, antibodies, and diagnostics. To provide readers with a quick update about this literature, we present a comprehensive and systematic methodology-centered review. Aspects such as molecular biophysics, bioinformatics, cheminformatics, machine learning, and mathematics are discussed. This review will be beneficial to researchers who are looking for ways to contribute to SARS-CoV-2 studies and those who are interested in the status of the field.

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Remdesivir analogs against SARS-CoV-2 RNA-dependent RNA polymerase

Cited by 11 publications

References 76 publications

Mapping Scientific Productivity Trends and Hotspots in Remdesivir Research Publications: A Bibliometric Study from 2016 to 2021

Mapping Scientific Productivity Trends and Hotspots in Remdesivir Research Publications: A Bibliometric Study from 2016 to 2021

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic approach for Tackling COVID-19

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

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