Repurposed drug molecules targeting NSP12 protein of SARS-CoV-2: An in-silico study

The emergence of SARS-CoV-2 created a havoc worldwide, causing high morbidity, serious complications and mortality. The ORF1ab of SARS-CoV-2 has 16 non-structural proteins which are required for genome replication and transcription. All of these are druggable targets, of which NSP12 (RNA-dependent R...

Full description

Bibliographic Details
Published in:	AIMS Molecular Science
Main Authors:	Bhawna Sharma, Bennet Angel, Vankadoth Umakanth Naik, Annette Angel, Vinod Joshi, BM Shareef, Neha Singh, Ambreen Shafaat Khan, Poorna Khaneja, Shilpa Barthwal, Ramesh Joshi, Nuzhat Maqbool Peer, Kiran Yadav, Komal Tomar, Satendra Pal Singh
Format:	Article
Language:	English
Published:	AIMS Press 2023-12-01
Subjects:	sars-cov-2 remdesivir rdrp respiratory drugs docking md simulation
Online Access:	https://www.aimspress.com/article/doi/10.3934/molsci.2023019?viewType=HTML

Similar Items

Influence of SARS-CoV-2 variants’ spike glycoprotein and RNA-dependent RNA polymerase (nsp12) mutations on remdesivir docking residues
by: Ali A. Dawood
Published: (2022-07-01)

Role of Furin Activation Sites as Receptors for Invasion of Severe Acute Respiratory Syndrome Coronavirus-2 Into Human Cells
by: BM Shareef, et al.
Published: (2024-08-01)

Mutations in RNA‐dependent RNA polymerase could be major cause of high pandemic potential of SARS‐CoV‐2: An in‐silico study
by: Bhawna Sharma, et al.
Published: (2025-06-01)

Molecular Basis of Host-Virus Interactions to Explain Relative Transmission and Severity Caused by Omicron and Delta variants of SARS-CoV-2
by: Vinod Joshi, et al.
Published: (2023-09-01)

Neutralizing possibilities of whole virion and mRNA vaccine triggered antibodies of Wuhan strain of SARS-CoV-2 with receptor binding domains of spike proteins of Delta and Omicron strains
by: Shilpa Barthwal, et al.
Published: (2023-01-01)

Characterization of Circulating HCV Genotypes: A Cohort Study in Uttar Pradesh, India
by: Nuzhat Maqbool Peer, et al.
Published: (2024-06-01)

Analysis the Effectiveness of Remdesivir, Galidesivir, Sofosbuvir, Tenofovir and Ribavirin as Potential Therapeutic Drug target against SARS-Cov-2 RNA-Dependent RNA Polymerase (RdRp): An in Silico Docking Study
by: Rajneesh Prajapat, et al.
Published: (2023-07-01)

Study of Concentration of Angiotensin-Converting Enzyme 2 Receptor Proteins in Different Age-groups and Genders with Reference to Susceptibility toward Severe Acute Respiratory Syndrome Coronavirus 2
by: Shareef M Buvvaji, et al.
Published: (2025-05-01)

Remdesivir inhibits Porcine epidemic diarrhea virus infection in vitro
by: Zi-Xin Huang, et al.
Published: (2023-11-01)

Limited Short-Term Evolution of SARS-CoV-2 RNA-Dependent RNA Polymerase under Remdesivir Exposure in Upper Respiratory Compartments
by: Vladimir Novitsky, et al.
Published: (2024-09-01)

Redefining NSP12 activity in SARS-CoV-2 and its regulation by NSP8 and NSP7
by: Deepa Singh, et al.
Published: (2025-03-01)

nCOVID-19 Pandemic: From Molecular Pathogenesis to Potential Investigational Therapeutics
by: Md. Tanvir Kabir, et al.
Published: (2020-07-01)

Research Progress on the NSP9 Protein of Porcine Reproductive and Respiratory Syndrome Virus
by: Huiyang Sha, et al.
Published: (2022-07-01)

SARS-CoV-2 RdRp Inhibitors Selected from a Cell-Based SARS-CoV-2 RdRp Activity Assay System
by: Jung Sun Min, et al.
Published: (2021-08-01)

In silico screening of drug inhibitors of SARS-CoV-2 RNA-dependent RNA polymerase target
by: Thanh Tung Bui, et al.
Published: (2022-03-01)

Computational Analysis Reveals Monomethylated Triazolopyrimidine as a Novel Inhibitor of SARS-CoV-2 RNA-Dependent RNA Polymerase (RdRp)
by: Anandakrishnan Karthic, et al.
Published: (2022-01-01)

The problem of SARS-CoV-2 virus resistance to direct-acting antivirals
by: E. L. Gasich, et al.
Published: (2024-12-01)

Mechanism of Inhibition of Ebola Virus RNA-Dependent RNA Polymerase by Remdesivir
by: Egor P. Tchesnokov, et al.
Published: (2019-04-01)

Structural Homology-Based Drug Repurposing Approach for Targeting NSP12 SARS-CoV-2
by: Abdulelah Aljuaid, et al.
Published: (2022-11-01)

Repurposing of Doramectin as a New Anti-Zika Virus Agent
by: Yujia Zhu, et al.
Published: (2023-04-01)

Natural Products from Red Algal Genus <i>Laurencia</i> as Potential Inhibitors of RdRp and nsp15 Enzymes of SARS-CoV-2: An In Silico Perspective
by: Omkar Pokharkar, et al.
Published: (2023-07-01)

COVID-19 and a Tale of Three Drugs: To Repurpose, or Not to Repurpose–That Was the Question
by: Chris R. Triggle, et al.
Published: (2025-06-01)

A mutation in the coronavirus nsp13-helicase impairs enzymatic activity and confers partial remdesivir resistance
by: Samantha L. Grimes, et al.
Published: (2023-08-01)

Structure of the RSV Polymerase Complex Reveals a Tentacular Arrangement of the Viral Phosphoprotein
by: Jason S. McLellan
Published: (2020-07-01)

Efficacy and Safety of Remdesivir in COVID-19 Positive Dialysis Patients
by: Batool Butt, et al.
Published: (2022-01-01)

Mutations of SARS-CoV-2 nsp14 exhibit strong association with increased genome-wide mutation load
by: Doğa Eskier, et al.
Published: (2020-10-01)

Successful treatment and long-term follow-up of a young cat with feline infectious peritonitis and renal lymphoma
by: Ilse Beekhuis, et al.
Published: (2025-10-01)

Demographic comparison of the first, second and third waves of COVID-19 in a tertiary care hospital at Jaipur, India
by: Sheetu Singh, et al.
Published: (2022-01-01)

Usutu Virus NS5: Characterization of Polymerase Activity, Protein–Protein Interaction and Cellular Localization %MCEPASTEBIN%
by: Laura Albentosa-González, et al.
Published: (2020-06-01)

POSS and PAG Dual-Containing Chemically Amplified Photoresists by RAFT Polymerization for Enhanced Thermal Performance and Acid Diffusion Inhibition
by: Haimeng Yu, et al.
Published: (2024-09-01)

Remdesivir for coronavirus 2019 (COVID-19): More promising but still unproven
by: Richard D. Shih, et al.
Published: (2020-12-01)

Computational investigation of novel synthetic analogs of C-1′β substituted remdesivir against RNA-dependent RNA-polymerase of SARS-CoV-2
by: Savio Cardoza, et al.
Published: (2024-09-01)

Perspective: repurposed Drugs for COVID-19
by: Kesara Na-Bangchang, et al.
Published: (2022-08-01)

Prediction of single nucleotide polymorphisms of RNA dependent RNA polymerase for the potato leafroll virus using computational and experimental approaches
by: Dalia G. Aseel, et al.
Published: (2025-08-01)

Contribution of critical amino acid residues in the RNA-dependent RNA polymerase to the replication fidelity and viral ribavirin sensitivity of porcine reproductive and respiratory syndrome virus
by: Xiaoyan Zhang, et al.
Published: (2025-04-01)

Recent advances in the study of zika virus structure, drug targets, and inhibitors
by: Yingqi Feng
Published: (2024-07-01)

Protein Nucleotidylylation in +ssRNA Viruses
by: Alice-Roza Eruera, et al.
Published: (2021-08-01)

Azelnidipine Exhibits In Vitro and In Vivo Antiviral Effects against Flavivirus Infections by Targeting the Viral RdRp
by: Zhuang Wang, et al.
Published: (2022-06-01)

Occurrence and Phylogenetic Analysis of Avian Coronaviruses in Domestic Pigeons (<i>Columba livia domestica</i>) in Poland between 2016 and 2020
by: Ewa Łukaszuk, et al.
Published: (2022-06-01)

Dapoxetine, a Selective Serotonin Reuptake Inhibitor, Suppresses Zika Virus Infection In Vitro
by: Bingzhi Zhang, et al.
Published: (2023-12-01)