RETRACTED: Artemisia Extracts and Artemisinin-Based Antimalarials for COVID-19 Management: Could These Be Effective Antivirals for COVID-19 Treatment?

PK Agrawal, C Agrawal, G Blunden - Molecules, 2022 - mdpi.com
As the world desperately searches for ways to treat the coronavirus disease 2019 (COVID-
19) pandemic, a growing number of people are turning to herbal remedies. The Artemisia …

Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches

HM Rehman, M Sajjad, MA Ali, R Gul, M Naveed… - International Journal of …, 2023 - Elsevier
The outbreak of novel Coronavirus, an enduring pandemic declared by WHO, has
consequences to an alarming ongoing public health menace which has already claimed …

Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors

I Ahmad, D Kumar, H Patel - Journal of biomolecular structure and …, 2022 - Taylor & Francis
N-Methyl-d-aspartate receptor (NMDAR)-mediated excitotoxicity has been implicated in
multi-neurodegenerative diseases. Owing to dearth of efficacy and adverse effects of NMDA …

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 …

A review on computational approaches that support the researches on traditional Chinese medicines (TCM) against COVID-19

C Ruchawapol, WW Fu, HX Xu - Phytomedicine, 2022 - Elsevier
Background COVID-19 highly caused contagious infections and massive deaths worldwide
as well as unprecedentedly disrupting global economies and societies, and the urgent …

Identification of potential human pancreatic α-amylase inhibitors from natural products by molecular docking, MM/GBSA calculations, MD simulations, and ADMET …

S Basnet, MP Ghimire, TR Lamichhane, R Adhikari… - Plos one, 2023 - journals.plos.org
Human pancreatic α-amylase (HPA), which works as a catalyst for carbohydrate hydrolysis,
is one of the viable targets to control type 2 diabetes. The inhibition of α-amylase lowers …

In silico and in vitro analysis of PPAR–α/γ dual agonists: Comparative evaluation of potential phytochemicals with anti-obesity drug orlistat

SK Mandal, BK Kumar, PK Sharma… - Computers in Biology …, 2022 - Elsevier
Obesity is an abnormal fat accumulation disorder in the metabolic syndrome constellation,
and a risk factor for diabetes, cardiovascular disorders, non-alcoholic fatty liver disease …

Natural product-inspired synthesis of coumarin–chalcone hybrids as potential anti-breast cancer agents

NA Alhakamy, M Saquib, Sanobar, MF Khan… - Frontiers in …, 2023 - frontiersin.org
Twelve novel neo-tanshinlactone–chalcone hybrid molecules were constructed through a
versatile methodology involving the Horner–Wadsworth–Emmons (HWE) olefination of 4 …

Sterenin M as a potential inhibitor of SARS-CoV-2 main protease identified from MeFSAT database using molecular docking, molecular dynamics simulation and …

J Prajapati, R Patel, D Goswami, M Saraf… - Computers in Biology …, 2021 - Elsevier
The disease outbreak of Coronavirus disease-19 (COVID-19), caused by the novel SARS-
CoV-2 virus, remains a public health concern. COVID-19 is spreading rapidly with a high …

Identification and exploration of quinazoline-1, 2, 3-triazole inhibitors targeting EGFR in lung cancer

S Kumar, S Sengupta, I Ali, MK Gupta… - Journal of …, 2023 - Taylor & Francis
Epidermal growth factor receptor (EGFR) enhances lung cancer development, due to their
inability to permeate the cell membrane, secreted growth factors work through specialized …