Impact of gallic acid on gut health: Focus on the gut microbiome, immune response, and mechanisms of action

K Yang, L Zhang, P Liao, Z Xiao, F Zhang… - Frontiers in …, 2020 - frontiersin.org
Gallic acid (GA) is a naturally occurring polyphenol compound present in fruits, vegetables,
and herbal medicines. According to previous studies, GA has many biological properties …

Gallic acid: A versatile antioxidant with promising therapeutic and industrial applications

B Badhani, N Sharma, R Kakkar - Rsc Advances, 2015 - pubs.rsc.org
Oxidative stress, a result of an overproduction and accumulation of free radicals, is the
leading cause of several degenerative diseases such as cancer, atherosclerosis …

Multi-step in silico discovery of natural drugs against COVID-19 targeting main protease

EB Elkaeed, FS Youssef, IH Eissa, H Elkady… - International Journal of …, 2022 - mdpi.com
In continuation of our antecedent work against COVID-19, three natural compounds, namely,
Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278) were determined as the …

Molecular insights into the interaction of RONS and Thieno [3, 2-c] pyran analogs with SIRT6/COX-2: A molecular dynamics study

DK Yadav, S Kumar, Saloni, S Misra, L Yadav, M Teli… - Scientific reports, 2018 - nature.com
SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and
pro-survival proteins through a signaling pathway, which leads to increased survival and …

In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking …

MS Alesawy, EB Elkaeed, AA Alsfouk, AM Metwaly… - Molecules, 2021 - mdpi.com
Papain-like protease is an essential enzyme in the proteolytic processing required for the
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …

Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2

S Pokhrel, TA Bouback, A Samad, SM Nur… - International Journal of …, 2021 - Elsevier
Abstract Angiotensin-converting enzyme 2 (ACE2), also known as peptidyl-dipeptidase A,
belongs to the dipeptidyl carboxydipeptidases family has emerged as a potential antiviral …

Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review

AA Lagunin, RK Goel, DY Gawande, P Pahwa… - Natural product …, 2014 - pubs.rsc.org
Covering: up to 2014 In silico approaches have been widely recognised to be useful for drug
discovery. Here, we consider the significance of available databases of medicinal plants and …

Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

C Jang, DK Yadav, L Subedi, R Venkatesan… - Scientific reports, 2018 - nature.com
In this study, pharmacophore based 3D QSAR models for human acetylcholinesterase
(AChE) inhibitors were generated, with good significance, statistical values (r2training …

A Review of Bioactive Compounds and Antioxidant Activity Properties of Piper Species

N Carsono, SG Tumilaar, D Kurnia, D Latipudin… - Molecules, 2022 - mdpi.com
Antioxidants are compounds that are able to inhibit the negative effects that come from free
radicals. The phenomenon of imbalanced antioxidant production and the accumulation of …

Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer

DK Yadav, S Kumar, Saloni, H Singh… - Drug Design …, 2017 - Taylor & Francis
Withanolides are a group of pharmacologically active compounds present in most prodigal
amounts in roots and leaves of Withania somnifera (Indian ginseng), one of the most …