[HTML][HTML] Prediction of repurposed drugs for Coronaviruses using artificial intelligence and machine learning

A Rajput, A Thakur, A Mukhopadhyay, S Kamboj… - Computational and …, 2021 - Elsevier
The world is facing the COVID-19 pandemic caused by Severe Acute Respiratory Syndrome
Coronavirus 2 (SARS-CoV-2). Likewise, other viruses of the Coronaviridae family were …

In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug …

W Sobhi, A Attoui, T Lemaoui, A Erto… - Journal of Molecular …, 2021 - Elsevier
In the last years, in order to achieve a better treatment of Alzheimer's disease (AD), much
focus has been put on the development of cholinesterase (Acetylcholinesterase and …

[HTML][HTML] Computational identification of potential multitarget inhibitors of Nipah virus by molecular docking and molecular dynamics

V Randhawa, S Pathania, M Kumar - Microorganisms, 2022 - mdpi.com
Nipah virus (NiV) is a recently emerged paramyxovirus that causes severe encephalitis and
respiratory diseases in humans. Despite the severe pathogenicity of this virus and its …

Anti-biofilm: Machine learning assisted prediction of IC50 activity of chemicals against biofilms of microbes causing antimicrobial resistance and implications in drug …

A Rajput, KT Bhamare, A Thakur, M Kumar - Journal of Molecular Biology, 2023 - Elsevier
Biofilms are one of the leading causes of antibiotic resistance. It acts as a physical barrier
against the human immune system and drugs. The use of anti-biofilm agents helps in …

[HTML][HTML] Are we ready to fight the Nipah virus pandemic? An overview of drug targets, current medications, and potential leads

S Yang, S Kar - Structural Chemistry, 2023 - Springer
Nipah virus (NiV) is a high-lethality RNA virus from the family of Paramyxoviridae and genus
Henipavirus, classified under Biosafety Level-4 (BSL-4) pathogen due to the severity of …

[HTML][HTML] Anti-Dengue: A Machine Learning-Assisted Prediction of Small Molecule Antivirals against Dengue Virus and Implications in Drug Repurposing

S Gautam, A Thakur, A Rajput, M Kumar - Viruses, 2023 - mdpi.com
Dengue outbreaks persist in global tropical regions, lacking approved antivirals,
necessitating critical therapeutic development against the virus. In this context, we …

[HTML][HTML] Nipah amidst Covid-19 pandemic, another re-emerging infectious disease of pandemic potential–a narrative review

A Kaliappan, V Kaliappan, JT Lakshmi, S Raja… - Maedica, 2022 - ncbi.nlm.nih.gov
Abstract Introduction: Nipah virus (NiV) was reported for the first time from the Kampung
Sungai Nipah village of Malaysia in 1998. Since then, there have been multiple outbreaks …

[HTML][HTML] Biofilm-i: A Platform for Predicting Biofilm Inhibitors Using Quantitative Structure—Relationship (QSAR) Based Regression Models to Curb Antibiotic …

A Rajput, KT Bhamare, A Thakur, M Kumar - Molecules, 2022 - mdpi.com
Antibiotic drug resistance has emerged as a major public health threat globally. One of the
leading causes of drug resistance is the colonization of microorganisms in biofilm mode …

Computational identification of repurposed drugs against viruses causing epidemics and pandemics via drug-target network analysis

A Rajput, A Thakur, A Rastogi, S Choudhury… - Computers in Biology …, 2021 - Elsevier
Viral epidemics and pandemics are considered public health emergencies. However,
traditional and novel antiviral discovery approaches are unable to mitigate them in a timely …

[HTML][HTML] Anti-Ebola: An initiative to predict Ebola virus inhibitors through machine learning

A Rajput, M Kumar - Molecular Diversity, 2022 - Springer
Ebola virus is a deadly pathogen responsible for a frequent series of outbreaks since 1976.
Despite various efforts from researchers worldwide, its mortality and fatality are quite high …