Anti-Parkinson potential of hesperetin nanoparticles: in vivo and in silico investigations

PK Pasala, P Dsnbk, 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 …

[HTML][HTML] Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies

M Rudrapal, I Celik, S Chinnam, MA Ansari… - Saudi Journal of …, 2022 - Elsevier
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 …

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 …

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 …

iAMAP-SCM: a novel computational tool for large-scale identification of antimalarial peptides using estimated propensity scores of dipeptides

P Charoenkwan, N Schaduangrat, P Lio, MA Moni… - ACS …, 2022 - ACS Publications
Antimalarial peptides (AMAPs) varying in length, amino acid composition, charge,
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

I Celik, M Rudrapal, PK Yadalam… - Polycyclic Aromatic …, 2023 - Taylor & Francis
Mucormycosis (or black fungus infection) is a life-threatening, but rare fungal infection with
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) …

M Rudrapal, KK Kirboga, M Abdalla, S Maji - Molecular Diversity, 2024 - Springer
Abstract Cyclooxygenase-2 (COX-2) inhibitors are nonsteroidal anti-inflammatory drugs that
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 …

The flavonoid Sudachitin regulates glucose metabolism via PDE inhibition

R Hatanaka, A Taguchi, Y Nagao, K Yorimoto… - Heliyon, 2024 - cell.com
Sudachitin, a member of the flavonoid family, reportedly improves glucose metabolism after
long-term administration, but details of the underlying mechanisms are unknown. We found …

Valorization of Adhatoda vasica leaves: Extraction, in vitro analyses and in silico approaches

M Rudrapal, S Vallinayagam, S Aldosari, J Khan… - Frontiers in …, 2023 - frontiersin.org
Adhatoda vasica (also called Vasaka) is a traditional medicinal herb used traditionally for
the relief of cough, asthma, nasal congestion, bronchial inflammation, upper respiratory …