[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 …
[HTML][HTML] In silico drug repurposing carvedilol and its metabolites against SARS-CoV-2 infection using molecular docking and molecular dynamic simulation …
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 …
[HTML][HTML] Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies
The overexpression of cyclooxygenase-2 (COX-2) was clearly associated with
carcinogenesis, and COX-2 as a possible target has long been exploited for cancer therapy …
carcinogenesis, and COX-2 as a possible target has long been exploited for cancer therapy …
[HTML][HTML] Repurposing benzbromarone as antifolate to develop novel antifungal therapy for Candida albicans
S Mujwar, A Tripathi - Journal of Molecular Modeling, 2022 - Springer
Fungal infections in humans are responsible for mild to severe infections resulting in
systemic effects that cause a large amount of mortality. Invasive fungal infections are having …
systemic effects that cause a large amount of mortality. Invasive fungal infections are having …
Epidemiology, Risk Factors, Diagnosis and Treatment of Mucormycosis (Black Fungus): A Review
The COVID-19 pandemic has shown an adverse effect worldwide, but in India, it has been
observed during the second wave that people who recovered from COVID-19 infection …
observed during the second wave that people who recovered from COVID-19 infection …
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 …
[HTML][HTML] Suppression of migration and invasion by taraxerol in the triple-negative breast cancer cell line MDA-MB-231 via the ERK/Slug axis
Y Xia, Y Zhang, L Chen, L Min, D Huang, Y Zhang, C Li… - Plos one, 2023 - journals.plos.org
As one of the triterpene extracts of Taraxacum, a traditional Chinese plant, taraxerol (TRX)
exhibits antitumor activity. In this study, we evaluated the effects of TRX on the migration and …
exhibits antitumor activity. In this study, we evaluated the effects of TRX on the migration and …
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 …
[HTML][HTML] Scaffold Morphing and In Silico Design of Potential BACE-1 (β-Secretase) Inhibitors: A Hope for a Newer Dawn in Anti-Alzheimer Therapeutics
Alzheimer's disease (AD) is the prime cause of 65–80% of dementia cases and is caused by
plaque and tangle deposition in the brain neurons leading to brain cell degeneration. β …
plaque and tangle deposition in the brain neurons leading to brain cell degeneration. β …
Computational design of phosphatidylinositol 3-kinase inhibitors
One of the most sought-after therapeutic targets for treating human cancers is the
phosphoinositide 3-kinase; PI3k is an integral part of the PI3K/protein kinase B signaling …
phosphoinositide 3-kinase; PI3k is an integral part of the PI3K/protein kinase B signaling …