Antiviral phytocompounds “ellagic acid” and “(+)-sesamin” of Bridelia retusa identified as potential inhibitors of SARS-CoV-2 3CL pro using extensive molecular …
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 …
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
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 …
Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free …
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 …
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 …
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
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 …
plants (Baccaurea ramiflora and Bergenia ciliata) was computationally investigated for their …
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 …
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease Mpro
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 …
approaches for computational drug discovery. Several docking benchmarks have been …
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 …
become not only a global challenge, but also a lack of effective clinical treatments. Studies …
Design, synthesis, anticancer evaluation and molecular docking studies of 1, 2, 4-oxadiazole incorporated indazole-isoxazole derivatives
J Lingam, BK Sahoo, BD Mallavarapu… - Synthetic …, 2024 - Taylor & Francis
Abstract A new series of 1, 2, 4-oxadiazole incorporated indazole-isoxazole (12a–j)
derivatives were designed, synthesized and confirmed their structures by 1HNMR, 13CNMR …
derivatives were designed, synthesized and confirmed their structures by 1HNMR, 13CNMR …
Structure-Based Discovery of the SARS-CoV-2 Main Protease Noncovalent Inhibitors from Traditional Chinese Medicine
X Jin, M Zhang, B Fu, M Li, J Yang… - Journal of Chemical …, 2024 - ACS Publications
Traditional Chinese medicine (TCM) has been extensively employed for the treatment of
coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome …
coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome …