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[HTML][HTML] Impact assessment of COVID-19 global pandemic on water, environment, and humans
One of the most significant threats to global health since the Second World War is the COVID-
19 pandemic. Due to COVID-19 widespread social, environmental, economic, and health …
19 pandemic. Due to COVID-19 widespread social, environmental, economic, and health …
Artificial intelligence in the management of neurodegenerative disorders
Neurodegenerative disorders are characterized by a gradual but irreversible loss of
neurological function. The ability to detect and treat these conditions successfully is crucial …
neurological function. The ability to detect and treat these conditions successfully is crucial …
[HTML][HTML] Computational bioprospecting guggulsterone against ADP ribose phosphatase of SARS-CoV-2
Coronavirus Disease-2019 (COVID-19) is a highly contagious disease caused by Severe
Acute Respiratory Syndrome-Coronavirus-2 (SARS-CoV-2). The World Health Organization …
Acute Respiratory Syndrome-Coronavirus-2 (SARS-CoV-2). The World Health Organization …
Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation
Tropomyosin receptor kinase (TRK) enzymes are responsible for different types of tumors
caused by neurotrophic tyrosine receptor kinase gene fusion and have been identified as an …
caused by neurotrophic tyrosine receptor kinase gene fusion and have been identified as an …
Structure-Based Virtual Screening of Furan-1,3,4-Oxadiazole Tethered N-phenylacetamide Derivatives as Novel Class of hTYR and hTYRP1 Inhibitors
Human tyrosinase (hTYR) is a key and rate-limiting enzyme along with human tyrosinase-
related protein-1 (hTYRP1), which are among the most prominent targets of inhibiting hyper …
related protein-1 (hTYRP1), which are among the most prominent targets of inhibiting hyper …
[HTML][HTML] Novel CYP11A1-derived vitamin D and lumisterol biometabolites for the management of COVID-19
Vitamin D deficiency is associated with a higher risk of SARS-CoV-2 infection and poor
outcomes of the COVID-19 disease. However, a satisfactory mechanism explaining the …
outcomes of the COVID-19 disease. However, a satisfactory mechanism explaining the …
QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme
Thioredoxin reductase (TrxR) plays an important role in the reduction of thioredoxin (Trx),
which is found to be involved in the upregulation of a diversity of tumors, including those …
which is found to be involved in the upregulation of a diversity of tumors, including those …
Unusual Ni⋯ Ni interaction in Ni (II) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs
Two nickel (II) coordination complexes [Ni (L)] 2 (1) and [Ni (L)] n (2) of a tetradentate Schiff
base ligand (H2L) derived from 2-hydroxy-1-naphthaldehyde with ethylenediamine were …
base ligand (H2L) derived from 2-hydroxy-1-naphthaldehyde with ethylenediamine were …
Repurposing FDA approved drugs against Sterol C-24 methyltransferase of Leishmania donovani: a dual in silico and in vitro approach
Leishmaniasis is a disease caused by the parasite Leishmania donovani affecting
populations belonging to develo** countries. The present study explores drug …
populations belonging to develo** countries. The present study explores drug …
In silico drug repurposing carvedilol and its metabolites against SARS-CoV-2 infection using molecular docking and molecular dynamic simulation approaches
The pandemic of coronavirus disease 2019 (COVID-19) caused by the infection of severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a significant impact on …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a significant impact on …