Exploring the molecular structural requirements of Withania somnifera (Ashwagandha) as human acetylcholinesterase inhibitors using molecular modelling studies

UA More, S Damania, P Desai… - … Biology and Drug …, 2022 - inderscienceonline.com
… The molecular docking study revealed that phyto-compounds of Withania somnifera are …
use of phytocompounds of Withania somnifera as a small ligand molecule in the treatment …

Light and auxin responsive cytochrome P450s from Withania somnifera Dunal: cloning, expression and molecular modelling of two pairs of homologue genes with …

S Srivastava, RS Sangwan, S Tripathi, B Mishra… - Protoplasma, 2015 - Springer
… In this study on Withania somnifera, these signalling molecules considerably increased the
expression of WSCYP93Id, WSCYP93Sm, WSCYP734B and WSCYP734R in leaf tissues. …

Identification of bioactive molecule from Withania somnifera (Ashwagandha) as SARS-CoV-2 main protease inhibitor

MK Tripathi, P Singh, S Sharma, TP Singh… - Journal of …, 2021 - Taylor & Francis
Withania somnifera (Ashwagandha) is one of the most valued … the medicinal potential of
Withania somnifera against the main … and suggests that Withania somnifera has the capability of …

In Silico Study on the Interactions, Molecular Docking, Dynamics and Simulation of Potential Compounds from Withania somnifera (L.) Dunal Root against Cancer by …

SH Deshpande, AB Muhsinah, ZK Bagewadi… - Molecules, 2023 - mdpi.com
… RMSD plot for ligands from Molecular dynamics for all … and last frame of molecular dynamics)
from Withania somnifera, which … from Withania somnifera subjected to molecular dynamics; …

Antioxidant activity and apoptotic induction as mechanisms of action of Withania somnifera (Ashwagandha) against a hepatocellular carcinoma cell line

W Ahmed, D Mofed, AR Zekri… - Journal of …, 2018 - journals.sagepub.com
Molecular modelling and docking study … therapeutic pathways, calculations of molecular
modelling and local docking were estimated using Molecular Operating Environment (MOE) …

Withania somnifera as a potential future drug molecule for COVID-19

VK Kashyap, A Dhasmana, MM Yallapu… - Future drug …, 2020 - Taylor & Francis
Withania somnifera as a future drug candidate for COVID-19 … , steroids and flavonoid
molecules. Several natural compounds have … Ashwagandha (Withania somnifera) has been used …

Homology modelling, molecular docking, and molecular dynamics simulations reveal the inhibition of Leishmania donovani dihydrofolate reductase-thymidylate …

B Vadloori, AK Sharath, NP Prabhu, R Maurya - BMC research notes, 2018 - Springer
Withania somnifera. Withaferin-A (WA) is known for its profound multifaceted properties, but
its antileishmanial activity is not well understood. The parasite’s DHFR-TS enzyme is diverse …

Blocking Protein kinase C signaling pathway: mechanistic insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera

A Grover, SP Katiyar, J Jeyakanthan, VK Dubey… - BMC genomics, 2012 - Springer
… We modelled and refined the tertiary structure of LPKC using computational methods such as
homology modelling and molecular … from Withania somnifera - withaferin A and withanone. …

A Decade of Molecular Understanding of Withanolide Biosynthesis and In vitro Studies in Withania somnifera (L.) Dunal: Prospects and Perspectives for Pathway …

N Dhar, S Razdan, S Rana, WW Bhat… - Frontiers in plant …, 2015 - frontiersin.org
Withania somnifera, a multipurpose medicinal plant is a rich … toward development of molecular
circuitries for production of … related to molecular and in vitro approaches employed in W. …

Identification of starvation-mimetic bioactive phytocomponent from Withania somnifera using in-silico molecular modelling and flow cytometry-based analysis for the …

D Pradhan, P Biswasroy, S Kulkarni… - Journal of …, 2024 - Taylor & Francis
… A (WS-3) isolated from Withania somnifera leave extract shows better … somnifera, and
evaluating the GLUT-1 and PfHT inhibitory activity through computational molecular modelling