Cargando…

Computational and theoretical exploration for clinical suitability of Remdesivir drug to SARS-CoV-2

A methodology for the exploration of clinical suitability of Remdesivir drug to SARS-CoV-2 main protease based on the computational, theoretical analysis pertinent to Gibb's free energy computed from the Molecular Dynamic simulations with OPLS-AA force field at 300 K/atmospheric pressure and th...

Descripción completa

Detalles Bibliográficos
Autores principales:	Nayeem, Shaik Mahammad, Sohail, Ershad Mohammed, Sudhir, Gajjela Priyanka, Reddy, Munnangi Srinivasa
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2021
Materias:	Full Length Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550911/ https://www.ncbi.nlm.nih.gov/pubmed/33065096 http://dx.doi.org/10.1016/j.ejphar.2020.173642

Ejemplares similares

Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field
por: Nayeem, Sk. Md, et al.
Publicado: (2021)

Theoretical and empirical analysis of trading activity
por: Pohl, Mathias, et al.
Publicado: (2018)

Suitable characteristics in the selection of human allogeneic chondrocytes donors to increase the number of viable cells for cartilage repair
por: Olivos-Meza, Anell, et al.
Publicado: (2023)

Exploring blended group interventions for depression: Randomised controlled feasibility study of a blended computer- and multimedia-supported psychoeducational group intervention for adults with depressive symptoms
por: Schuster, Raphael, et al.
Publicado: (2017)

QSAR for RNases and theoretic–experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein
por: González-Díaz, Humberto, et al.
Publicado: (2009)

Gene Expression of Promyelocytic Leukemia Proteins and IFN-γ Is Reduced in Rotavirus-Infected Children
por: Mohammed, Ahmed Jasim, et al.
Publicado: (2020)

Association of a New Germline Variant in the MUTYH DNA Glycosylase Gene with Colorectal Adenoma Transformation into Malignancy
por: Mahasneh, Amjad, et al.
Publicado: (2019)

Theoretical design of low bandgap donor–acceptor (D-A) monomers for polymer solar cells: DFT and TD-DFT study
por: Vuai, Said A.H., et al.
Publicado: (2021)

Exploring the pH dependence of the SARS‐CoV‐2 complete fusion domain and the role of its unique structural features
por: Birtles, Daniel, et al.
Publicado: (2022)

Exploration of the experience of living with chronic insomnia: A qualitative study()
por: Rezaie, Leeba, et al.
Publicado: (2016)

Addiction in Extreme Sports: An Exploration of Withdrawal States in Rock Climbers
por: Heirene, Robert M., et al.
Publicado: (2016)

Breakthrough SARS‐CoV‐2 infections in immune mediated disease patients undergoing B cell depleting therapy: A retrospective cohort analysis
por: Calabrese, Cassandra M, et al.
Publicado: (2022)

Overcoming the unitary exploration of binge-watching: A cluster analytical approach
por: Flayelle, Maèva, et al.
Publicado: (2019)

Grown and thrown: Exploring approaches to estimate food waste in EU countries
por: Caldeira, Carla, et al.
Publicado: (2021)

Does it blend? Exploring therapist fidelity in blended CBT for anxiety disorders
por: Romijn, Geke, et al.
Publicado: (2021)

Exploring the application and mechanism of sodium hyaluronate in cryopreservation of red blood cells
por: Liu, Xiangjian, et al.
Publicado: (2021)

Mechanistic basis of GPCR activation explored by ensemble refinement of crystallographic structures
por: Madsen, Jesper J., et al.
Publicado: (2022)

Exploring the impact of brief training on student pharmacists' naloxone communication skills
por: Jankowski, Kelly, et al.
Publicado: (2023)

Exploration of structural and physicochemical requirements and search of virtual hits for aminopeptidase N inhibitors
por: Halder, Amit K., et al.
Publicado: (2013)

Exploring linker's sequence diversity to fuse carotene cyclase and hydroxylase for zeaxanthin biosynthesis
por: Bouin, Aurélie, et al.
Publicado: (2023)

Exploring clinician perspectives on patients with atrial fibrillation who are not prescribed anticoagulation therapy
por: Yao, Catherine, et al.
Publicado: (2022)

Exploring facilitators and barriers to patient-provider communication regarding diabetes self-management
por: Kirk, Brenna O., et al.
Publicado: (2023)

Computational drug re-purposing targeting the spike glycoprotein of SARS-CoV-2 as an effective strategy to neutralize COVID-19
por: Toor, Himanshu G., et al.
Publicado: (2021)

Exploring mental health providers' interest in using web and mobile-based tools in their practices
por: Schueller, Stephen M., et al.
Publicado: (2016)

Exploring medical students' views on digital mental health interventions: A qualitative study
por: Dederichs, Melina, et al.
Publicado: (2021)

Exploring Patients’ Perceptions About Chronic Kidney Disease and Their Treatment: A Qualitative Study
por: Meuleman, Yvette, et al.
Publicado: (2023)

Transdiagnostic, internet-delivered cognitive behavior therapy for depression and anxiety: Exploring impact on health anxiety
por: Owens, Victoria A.M., et al.
Publicado: (2019)

Exploring relationships between problem gambling, scratch card gambling, and individual differences in thinking style
por: Stange, Madison, et al.
Publicado: (2018)

Viroinformatics approach to explore the inhibitory mechanism of existing drugs repurposed to fight against COVID-19
por: Bibi, Nousheen, et al.
Publicado: (2020)

Problem gambling among Czech adolescents: An exploration of its relationship to early initiation of tobacco smoking
por: Špolc, Martin, et al.
Publicado: (2019)

A metastasis-on-a-chip approach to explore the sympathetic modulation of breast cancer bone metastasis
por: Conceição, Francisco, et al.
Publicado: (2022)

Exploring monitoring strategies for population surveillance of HPV vaccine impact using primary HPV screening
por: Velentzis, Louiza S., et al.
Publicado: (2023)

Exploring reasons for usage discontinuation in an internet-delivered stress recovery intervention: A qualitative study
por: Nomeikaite, Auguste, et al.
Publicado: (2023)

Computational design of mixed chirality peptide macrocycles with internal symmetry
por: Mulligan, Vikram Khipple, et al.
Publicado: (2020)

Phenotypic clusters on computed tomography reflects asthma heterogeneity and severity()
por: Kim, Sujeong, et al.
Publicado: (2022)

Discovering different profiles in the dynamics of depression based on real–time monitoring of mood: a first exploration
por: van Genugten, Claire R., et al.
Publicado: (2021)

A qualitative exploration of the eight dimensions of wellness in opioid use disorder recovery during the postpartum period
por: Mallahan, Stephanie, et al.
Publicado: (2023)

Computer passwords as a timely booster for writing-based psychological interventions
por: Li, Gu, et al.
Publicado: (2022)

A computed tomography‐based survey of paramedullary diverticula in extant Aves
por: Atterholt, Jessie, et al.
Publicado: (2022)

Unravelling high-affinity binding compounds towards transmembrane protease serine 2 enzyme in treating SARS-CoV-2 infection using molecular modelling and docking studies
por: M, Pooja, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_uu7gbdjp8376smck0nrop4hp3p