Genomics insights of SARS-CoV-2 (COVID-19) into target-based drug discovery

P Chellapandi, S Saranya - Medicinal Chemistry Research, 2020 - Springer
Abstract Coronavirus disease (COVID-19) pandemic is caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2). COVID-19 is a global health emergency and no …

Molecular docking as a potential approach in repurposing drugs against COVID-19: A systematic review and novel pharmacophore models

M Fadlalla, M Ahmed, M Ali, AA Elshiekh… - Current Pharmacology …, 2022 - Springer
Abstract Purpose of Review This article provides a review of the recent literature related to
the FDA-approved drugs that had been repurposed as potential drug candidates against …

Quick and efficient quantitative predictions of androgen receptor binding affinity for screening endocrine disruptor chemicals using 2D-QSAR and chemical read …

A Banerjee, P De, V Kumar, S Kar, K Roy - Chemosphere, 2022 - Elsevier
Abstract Endocrine Disruptor Chemicals are synthetic or natural molecules in the
environment that promote adverse modifications of endogenous hormone regulation in …

Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and …

D Sen, P Debnath, B Debnath, S Bhaumik… - Journal of …, 2022 - Taylor & Francis
The outbreak of novel coronavirus disease (COVID-19) caused by SARS-CoV-2 poses a
serious threat to human health and world economic activity. There is no specific drug for the …

Targeting SARS-CoV-2 main protease: a computational drug repurposing study

K Baby, S Maity, CH Mehta, A Suresh, UY Nayak… - Archives of medical …, 2021 - Elsevier
Background and Aims Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
induced Novel Coronavirus Disease (COVID-19) has currently become pandemic …

In silico and in vitro studies of GENT-EDTA encapsulated niosomes: A novel approach to enhance the antibacterial activity and biofilm inhibition in drug-resistant …

I Akbarzadeh, N Rezaei, S Bazzazan, MN Mezajin… - Biomaterials …, 2023 - Elsevier
Klebsiella pneumoniae (Kp) is a common pathogen inducing catheter-related biofilm
infections. Developing effective therapy to overcome antimicrobial resistance (AMR) in Kp is …

In silico analysis and identification of antiviral coumarin derivatives against 3-chymotrypsin-like main protease of the novel coronavirus SARS-CoV-2

R Abdizadeh, F Hadizadeh, T Abdizadeh - Molecular Diversity, 2022 - Springer
Abstract Coronavirus disease 2019 (COVID-19) is a pandemic viral disease caused by
SARS-CoV-2 that generated serious damages for both the human population and the global …

Designing short peptides to block the interaction of SARS-CoV-2 and human ACE2 for COVID-19 therapeutics

A Basit, AM Karim, M Asif, T Ali, JH Lee… - Frontiers in …, 2021 - frontiersin.org
To date, the current COVID-19 pandemic caused by SARS-CoV-2 has infected 99.2 million
while killed 2.2 million people throughout the world and is still spreading widely. The …

Importance of glutamine 189 flexibility in SARS-CoV-2 main protease: Lesson learned from in silico virtual screening of ChEMBL database and molecular dynamics

MA Said, A Albohy, MA Abdelrahman… - European Journal of …, 2021 - Elsevier
The current global pandemic outbreak of COVID-19, caused by the SARS-CoV-2, strikes an
invincible damage to both daily life and the global economy. WHO guidelines for COVID-19 …

Binding and inhibitory effect of ravidasvir on 3CLpro of SARS-CoV‐2: a molecular docking, molecular dynamics and MM/PBSA approach

K Bera - Journal of Biomolecular Structure and Dynamics, 2022 - Taylor & Francis
Drug repurposing requires a limited resource, cost-effective and faster method to combat
severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Therefore, this in silico …