[HTML][HTML] Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies
The inhibition of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main
protease (Mpro) and papain-like protease (PLpro) prevents viral multiplications; these viral …
protease (Mpro) and papain-like protease (PLpro) prevents viral multiplications; these viral …
Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: Investigation of antikindling and …
R Baru Venkata, DSNBK Prasanth, PK Pasala… - Frontiers in …, 2023 - frontiersin.org
To valorise the bioactive constituents abundant in leaves and other parts of medicinal plants
with the objective to minimize the plant-based wastes, this study was undertaken. The main …
with the objective to minimize the plant-based wastes, this study was undertaken. The main …
Investigation of Cardioprotective Activity of Silybin: Network Pharmacology, Molecular Docking, and In Vivo Studies
P Kumar Pasala, M Donakonda, PS Dintakurthi… - …, 2023 - Wiley Online Library
The abundant health benefits of silybin are known to benefit people with myocardial
infarction (MI). However, their mechanisms of action are not precise. To address this …
infarction (MI). However, their mechanisms of action are not precise. To address this …
iAMAP-SCM: a novel computational tool for large-scale identification of antimalarial peptides using estimated propensity scores of dipeptides
Antimalarial peptides (AMAPs) varying in length, amino acid composition, charge,
conformational structure, hydrophobicity, and amphipathicity reflect their diversity in …
conformational structure, hydrophobicity, and amphipathicity reflect their diversity in …
Resveratrol and Its Natural Analogues Inhibit RNA Dependant RNA Polymerase (RdRp) of Rhizopus oryzae in Mucormycosis through Computational Investigations
Mucormycosis (or black fungus infection) is a life-threatening, but rare fungal infection with
predominant occurrence in immunosuppressed patients following the SARS-CoV-2 …
predominant occurrence in immunosuppressed patients following the SARS-CoV-2 …
Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) …
Abstract Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that
treat inflammation, pain and fever. This study determined the interaction mechanisms of …
treat inflammation, pain and fever. This study determined the interaction mechanisms of …
Receptor-based pharmacophore modeling, molecular docking, synthesis and biological evaluation of novel VEGFR-2, FGFR-1, and BRAF multi-kinase inhibitors
HT Abdel-Mohsen, MA Ibrahim, AM Nageeb… - BMC chemistry, 2024 - Springer
A receptor-based pharmacophore model describing the binding features required for the
multi-kinase inhibition of the target kinases (VEGFR-2, FGFR-1, and BRAF) were …
multi-kinase inhibition of the target kinases (VEGFR-2, FGFR-1, and BRAF) were …
Anti-Parkinson potential of hesperetin nanoparticles: in vivo and in silico investigations
PK Pasala, DSNBK Prasanth, M Rudrapal… - Natural Product …, 2024 - Taylor & Francis
Parkinson's disease (PD) is characterised by the gradual demise of dopaminergic neurons.
In recent years, there has been significant interest in herbal treatments. In this study …
In recent years, there has been significant interest in herbal treatments. In this study …
Valorization of Adhatoda vasica leaves: Extraction, in vitro analyses and in silico approaches
Adhatoda vasica (also called Vasaka) is a traditional medicinal herb used traditionally for
the relief of cough, asthma, nasal congestion, bronchial inflammation, upper respiratory …
the relief of cough, asthma, nasal congestion, bronchial inflammation, upper respiratory …
In vitro Genotoxicity and In silico Docking Analyses of the Essential Oils of Thuja orientalis
S Bozari - Chemistry & Biodiversity, 2024 - Wiley Online Library
Two main objectives were pursued to assess the reliability of Thuja orientalis essential oils
(TOEO). The first objective was to extract TOEO, analyze them by GC‐MS, and determine …
(TOEO). The first objective was to extract TOEO, analyze them by GC‐MS, and determine …