[HTML][HTML] Stand up to stand out: natural dietary polyphenols curcumin, resveratrol, and gossypol as potential therapeutic candidates against severe acute respiratory …

Z Wang, X Song, W Xu, S Lei, H Zhang, L Yang - Nutrients, 2023 - mdpi.com
The COVID-19 pandemic has stimulated collaborative drug discovery efforts in academia
and the industry with the aim of developing therapies and vaccines that target SARS-CoV-2 …

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] Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive …

AK Umar, JH Zothantluanga, K Aswin, S Maulana… - Structural …, 2022 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected billions and
has killed millions to date. Studies are being carried out to find therapeutic molecules that …

[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 …

[HTML][HTML] Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding …

QH Tran, QT Nguyen, NQH Vo, TT Mai, TTN Tran… - PLoS …, 2022 - journals.plos.org
Interleukin 6 (IL-6) is a cytokine with various biological functions in immune regulation,
hematopoiesis, and inflammation. Elevated IL-6 levels have been identified in several …

Silybin phytosome attenuates cerebral ischemia‐reperfusion injury in rats by suppressing oxidative stress and reducing inflammatory response: In vivo and in silico …

PK Pasala, RK Uppara, M Rudrapal… - … of Biochemical and …, 2022 - Wiley Online Library
The present study was aimed to develop silybin phytosome (SIBP) and evaluate its
effectiveness against cerebral ischemia‐reperfusion (CIR) injury in rats. Initially, SIBP was …

Computational Investigations for Identification of Bioactive Molecules from Baccaurea ramiflora and Bergenia ciliata as Inhibitors of SARS-CoV-2 Mpro

JH Zothantluanga, M Abdalla, M Rudrapal… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this study, a hybrid compound library of 72 phytocompounds from two antiviral medicinal
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …

[HTML][HTML] Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: investigation of antikindling and antioxidant activities …

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 …

[HTML][HTML] Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease Mpro

D Bassani, M Pavan, G Bolcato, M Sturlese, S Moro - Pharmaceuticals, 2022 - mdpi.com
In the latest few decades, molecular docking has imposed itself as one of the most used
approaches for computational drug discovery. Several docking benchmarks have been …

[HTML][HTML] Exploring the mechanism of action of licorice in the treatment of COVID-19 through bioinformatics analysis and molecular dynamics simulation

JF Cao, Y Gong, M Wu, X Yang, L Xiong… - Frontiers in …, 2022 - frontiersin.org
Purpose: The rapid worldwide spread of Corona Virus Disease 2019 (COVID-19) has
become not only a global challenge, but also a lack of effective clinical treatments. Studies …