In silico studies on therapeutic agents for COVID-19: Drug repurposing approach

B Shah, P Modi, SR Sagar - Life sciences, 2020 - Elsevier
Aims The severe acute respiratory syndrome coronavirus 2, better known as COVID-19 has
become the current health concern to the entire world. Initially appeared in Wuhan, China …

Drug discovery of plausible lead natural compounds that target the insulin signaling pathway: Bioinformatics approaches

S Shanak, N Bassalat, A Barghash… - Evidence‐Based …, 2022 - Wiley Online Library
The growing smooth talk in the field of natural compounds is due to the ancient and current
interest in herbal medicine and their potentially positive effects on health. Dozens of …

Forest biomass as a promising source of bioactive essential oil and phenolic compounds for Alzheimer's disease therapy

P Moreira, P Matos, A Figueirinha, L Salgueiro… - International Journal of …, 2022 - mdpi.com
Alzheimer's disease (AD) is the most common neurodegenerative disorder affecting elderly
people worldwide. Currently, there are no effective treatments for AD able to prevent disease …

Design, synthesis, and biological evaluation of novel (4-(1, 2, 4-oxadiazol-5-yl) phenyl)-2-aminoacetamide derivatives as multifunctional agents for the treatment of …

T Liu, S Chen, J Du, S Xing, R Li, Z Li - European journal of medicinal …, 2022 - Elsevier
On the basis of our previous work, a novel series of (4-(1, 2, 4-oxadiazol-5-yl) phenyl)-2-
aminoacetamide derivatives were synthesized and evaluated as multifunctional ligands for …

A highly specific two-photon fluorescent probe for real-time monitoring of acetylcholinesterase in neurogenic disorders in vivo

W An, Z Huang, W Jiang, F Du, C Xu, Q Shen… - Analytica Chimica …, 2024 - Elsevier
Acetylcholinesterase (AChE) hydrolyses choline into thiocholine, which is essential for
cholinergic neurons to revert to their resting state following activation. Abnormal changes in …

Inhibition of α‐glucosidase and α‐amylase by herbal compounds for the treatment of type 2 diabetes: a validation of in silico reverse docking with in vitro enzyme …

M Tolmie, MJ Bester, Z Apostolides - Journal of Diabetes, 2021 - Wiley Online Library
Background α‐Amylase and α‐glucosidase are important therapeutic targets for the
management of type 2 diabetes mellitus. The inhibition of these enzymes decreases …

Pharmacophore based virtual screening for identification of effective inhibitors to combat HPV 16 E6 driven cervical cancer

A Mohan, S Krishnamoorthy, R Sabanayagam… - European Journal of …, 2023 - Elsevier
Targeting HPV16 E6 has emerged as an effective drug target for the treatment/management
of cervical cancer. We utilized pharmacophore-based virtual screening, molecular docking …

Computational insight of dexamethasone against potential targets of SARS-CoV-2

AO Fadaka, NRS Sibuyi, AM Madiehe… - Journal of Biomolecular …, 2022 - Taylor & Francis
The health sector has been on the race to find a potent therapy for coronavirus disease
(COVID)-19, a diseases caused by severe acute respiratory syndrome coronavirus (SARS …

In silico approach of naringin as potent phosphatase and tensin homolog (PTEN) protein agonist against prostate cancer

S Muthumanickam, T Indhumathi, P Boomi… - Journal of …, 2022 - Taylor & Francis
Prostate cancer (PC) is one of the major impediments affecting men, which leads
approximately 31,620 deaths in both developing and developed countries. Although some …

Potential thiosemicarbazone‐based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking …

H Yakan, ÜM Koçyiğit, H Muğlu, M Ergul… - … of Biochemical and …, 2022 - Wiley Online Library
A new series of thiosemicarbazone derivatives (1–11) were prepared from various
aldehydes and isocyanates with high yields and practical methods. The structures of these …