[HTML][HTML] Impact assessment of COVID-19 global pandemic on water, environment, and humans

T Raza, M Shehzad, M Abbas, NS Eash, HS Jatav… - Environmental …, 2023 - Elsevier
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 …

Artificial intelligence in the management of neurodegenerative disorders

S Dhankhar, S Mujwar, N Garg… - CNS & Neurological …, 2024 - benthamdirect.com
Neurodegenerative disorders are characterized by a gradual but irreversible loss of
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

M Kciuk, S Mujwar, I Rani, K Munjal, A Gielecińska… - Molecules, 2022 - mdpi.com
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 …

Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation

M Er-Rajy, M El Fadili, S Mujwar… - Journal of …, 2023 - Taylor & Francis
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 …

Structure-Based Virtual Screening of Furan-1,3,4-Oxadiazole Tethered N-phenylacetamide Derivatives as Novel Class of hTYR and hTYRP1 Inhibitors

A Irfan, S Faisal, S Ahmad, SA Al-Hussain, S Javed… - pharmaceuticals, 2023 - mdpi.com
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 …

[HTML][HTML] Novel CYP11A1-derived vitamin D and lumisterol biometabolites for the management of COVID-19

S Qayyum, RM Slominski, C Raman, AT Slominski - Nutrients, 2022 - mdpi.com
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 …

QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme

M Er-rajy, ME Fadili, S Mujwar, FZ Lenda… - Structural Chemistry, 2023 - Springer
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 …

Unusual Ni⋯ Ni interaction in Ni (II) complexes as potential inhibitors for the development of new anti-SARS-CoV-2 Omicron drugs

S Singh, M Choudhary - RSC Medicinal Chemistry, 2024 - pubs.rsc.org
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 …

Repurposing FDA approved drugs against Sterol C-24 methyltransferase of Leishmania donovani: a dual in silico and in vitro approach

D Kumari, V Jamwal, A Singh, SK Singh, S Mujwar… - Acta Tropica, 2024 - Elsevier
Leishmaniasis is a disease caused by the parasite Leishmania donovani affecting
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

C Zhang, J Liu, Y Sui, S Liu, M Yang - Scientific Reports, 2023 - nature.com
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 …