Screening of potent inhibitor from Aquilaria malaccensis Lam. against arachidonic inflammatory enzymes: an insight from molecular docking, ADMET, molecular …

P Sarmah, P Konwar, J Saikia, T Borah… - Journal of …, 2023 - Taylor & Francis
The three primary enzymes COX (cyclooxygenase), LOX (lipoxygenase) and CYT-P450
(cytochrome P450), which are part of the arachidonic inflammatory pathway, play crucial role …

In-silico anti-inflammatory potential of guaiane dimers from Xylopia vielana targeting COX-2

SS Hassan, WD Zhang, H Jin, SH Basha… - Journal of …, 2022 - Taylor & Francis
Natural products of herbal origin are prodigious to display diverse pharmacological
activities. In the present study, five guaiane-type sesquiterpene dimers, xylopidimers A− E (1 …

[HTML][HTML] Molecular docking analysis of COX-2 with compounds from Piper longum

D Tripathi, S Koora, K Satyanarayana, SS Basha… - …, 2021 - ncbi.nlm.nih.gov
Piper longum (Indian long pepper) is known for its use as an anti inflammatory agent in
Indian Ayurvedic System of medicine. Therefore, it is of interest to document the molecular …

Comprehending interaction mechanism of natural actives of Colchicum autumnale L. for rheumatoid arthritis using integrative chemoinformatic approaches

S HS, GV, N TM, AS Setlur, CK, J Kumar… - Journal of …, 2023 - Taylor & Francis
This research delves into the realm of therapeutic potential within natural compounds
derived from Colchicum autumnale L., emphasizing a holistic perspective on medications …

Molecular docking, DFT studies, and anti-inflammatory evaluation of peshawaraquinone isolated from Fernandoa adenophylla

T S. AlOmar, A Rauf, U Rashid, S Sarfaraz… - Journal of …, 2023 - Taylor & Francis
In recent years, there has been growing interest in exploring natural compounds with anti-
inflammatory properties for potential therapeutic applications. This study focuses on …

[PDF][PDF] In silico study of selected lignins as COX-2 inhibitors

L Taidi, MR Britel, A Maurady - … Research in Applied …, 2022 - biointerfaceresearch.com
Natural products present in medicinal plants play an important role in several biological
processes, many of which alleviate and control inflammation-related diseases. These have …

[HTML][HTML] In silico comparative molecular docking analysis and analysis of the anti‑inflammatory mechanisms of action of tanshinone from Salvia miltiorrhiza

Z Ruan, L Niu, L Han, R Ren, Z Xu… - Experimental and …, 2019 - spandidos-publications.com
Tanshinones are a class of abietane diterpene compounds extracted from Salvia
miltiorrhiza, and have been used for medical purposes in traditional Chinese medicinal …

Molecular docking and dynamics supported investigation of antiviral activity of Lichen metabolites of Roccella montagnei: an in silico and in vitro study

NB Bhat, S Das, BVS Sridevi, S Nayaka… - Journal of …, 2023 - Taylor & Francis
Lichens are symbiotic organisms that have been traditionally used for treating different kinds
of ailments. As there are only a few reports on the antiviral activity of lichens, we thought of …

Virtual screening and invitro evaluation of cyclooxygenase inhibitors from Tinospora cordifolia using the machine learning tool

A Mathe, V Mulpuru, SK Katari… - Journal of …, 2023 - Taylor & Francis
Tinospora cordifolia has a variety of compounds, and some of these compounds may have
anti-inflammatory and antioxidant properties. In the present study, we identified the …

Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based …

A Nayak, A Gadnayak, KT Dash, S Jena… - Journal of …, 2023 - Taylor & Francis
Abstract Cyclooxygenase 2 (COX-2), the key enzyme involved in prostaglandin (PGs)
production, is known to take part in inflammatory and immune responses. Though COX-2 …