In silico methods for identification of potential active sites of therapeutic targets

J Liao, Q Wang, F Wu, Z Huang - Molecules, 2022 - mdpi.com
Target identification is an important step in drug discovery, and computer-aided drug target
identification methods are attracting more attention compared with traditional drug target …

Structure-based drug design strategies and challenges

X Wang, K Song, L Li, L Chen - Current Topics in Medicinal …, 2018 - ingentaconnect.com
Over the past ten years, the number of three-dimensional protein structures identified by
advanced science and technology increases, and the gene information becomes more …

Chinese Herbal Formula Ermiao Powder (二妙散) Regulates Cholinergic Anti-inflammatory Pathway in Rats with Rheumatoid Arthritis

Z Li, J Liu, H Hao, Y Gao, Z Wang - Chinese journal of integrative medicine, 2020 - Springer
Objective To investigate the effect of Chinese herbal formula Ermiao Powder (二妙散, EMP)
on the expression of cholinergic anti-inflammatory pathway in rats with rheumatoid arthritis …

[HTML][HTML] Exploring the mechanism of cytisine in treating respiratory depression following venomous snake bites based on network pharmacology and molecular …

S Sun, C Fang, F Wang, D Huang… - American Journal of …, 2024 - ncbi.nlm.nih.gov
Objective: To investigate the antivenom mechanism of cytisine through network
pharmacology and molecular docking (MD) techniques, with the intention of exploring its …

Expression and localization analyses of the cholinergic anti-inflammatory pathway and α7nAchR in different tissues of rats with rheumatoid arthritis

Z Li, H Hao, Y Gao, Z Wang, W Lu, J Liu - Acta Histochemica, 2019 - Elsevier
Rheumatoid arthritis (RA) is a complicated chronic multisystem autoimmune disease,
wherein the inflammatory cascade leads to vasospasm and osteoclastogenesis, which …

9p24 triplication in syndromic hydrocephalus with diffuse villous hyperplasia of the choroid plexus

C Furey, P Antwi, D Duran… - Molecular …, 2018 - molecularcasestudies.cshlp.org
Hydrocephalus, a disorder of impaired cerebrospinal fluid (CSF) homeostasis, often results
from an imbalance between CSF production and reabsorption. Rarely, hydrocephalus is the …

Cassava mosaic virus in Africa: Functional analysis of virus coat proteins based on evolutionary processes and protein structure

WP Dauda, P Abraham, IV Fasogbon, CO Adetunji… - Gene Reports, 2021 - Elsevier
African cassava mosaic virus (ACMV) has been identified as a typical example of a
pathogenic microorganism that constitutes a global menace to cassava's profitable …

Repurposing of approved drugs and nutraceuticals to identify potential inhibitors of SARS-COV-2's entry into human host cells: a structural analysis using induced-fit …

R Ray, SR Birangal, F Fathima, GV Bhat… - Molecular …, 2022 - Taylor & Francis
The objective of this research work is to identify molecules through an advanced
computational screening technique from a database of approved drugs/nutraceuticals that …

Establishment of resveratrol and its derivatives as neuroprotectant against monocrotophos-induced alteration in NIPBL and POU4F1 protein through molecular …

R Yadav, P Srivastava - Environmental Science and Pollution Research, 2020 - Springer
Monocrotophos (MCP) is a broad spectrum organophosphorus insecticide, which is widely
used as foliar spray to the different important crops. MCP may reach the soil and the aquatic …

Computer Aided Drug Design

B Kumar, PA Chawla, V Chawla - … and Drug Delivery: An Application Guide …, 2022 - Springer
Various challenges such as cost and time consumption problems associated with traditional
drug design and development process have been overcome with in silico approaches …