Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review

VT Sabe, T Ntombela, LA Jhamba… - European Journal of …, 2021 - Elsevier
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …

Non-steroidal anti-inflammatory drugs: Recent advances in the use of synthetic COX-2 inhibitors

M Ahmadi, S Bekeschus, KD Weltmann… - RSC Medicinal …, 2022 - pubs.rsc.org
Cyclooxygenase (COX) enzymes comprise COX-1 and COX-2 isoforms and are responsible
for prostaglandin production. Prostaglandins have critical roles in the inflammation pathway …

Andrographolide and its derivatives: Current achievements and future perspectives

H Zhang, S Li, Y Si, H Xu - European journal of medicinal chemistry, 2021 - Elsevier
Natural product andrographolide isolated from the plant Andrographis paniculata shows a
plethora of biological activities, including anti-tumor, anti-bacterial, anti-inflammation, anti …

Design, classification, and adverse effects of NSAIDs: A review on recent advancements

M Arfeen, A Srivastava, N Srivastava, RA Khan… - Bioorganic & Medicinal …, 2024 - Elsevier
Inflammation is a hallmark of many diseases, including cancer, neurodegenerative diseases
like Alzheimer's, type II diabetes, rheumatoid arthritis, and asthma. Nonsteroidal anti …

In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2

S Beura, P Chetti - Journal of Biomolecular Structure and …, 2021 - Taylor & Francis
The global health emergency of novel COVID-19 is due to severe acute respiratory
syndrome coronavirus-2 (SARS-CoV-2). Currently there are no approved drugs for the …

Computational bioprospecting of andrographolide derivatives as potent cyclooxygenase-2 inhibitors

S Mujwar - Biomedical and Biotechnology Research Journal …, 2021 - journals.lww.com
Background: Inflammation is a protective response of the human body that still causes a
high level of discomfort because of the associated pain and other inflammatory reactions …

[HTML][HTML] Preparation, urease inhibition mechanisms, and anti-Helicobacter pylori activities of hesperetin-7-rhamnoglucoside

M Sharaf, M Arif, HI Hamouda, S Khan… - Current research in …, 2022 - Elsevier
This work investigated the effects of the bioflavonoid hesperetin-7-rhamnoglucoside isolated
from Citrus uranium fruit peel on Helicobacter pylori (H. pylori). Separation and purity …

A structure-based approach to explore novel COX-2 inhibitors using pharmacophore modelling, 3D-QSAR analysis, virtual screening and dynamics simulation study

PR Krishnendu, S Benny, S Kumar, J Jayan… - Journal of Molecular …, 2024 - Elsevier
Anti-inflammatory medications are one of the most commonly preferred over-the-counter
medications because inflammation and pain are closely related and caused by various …

Pharmacophore study, molecular docking and molecular dynamic simulation of virgin coconut oil derivatives as anti-inflammatory agent against COX-2

KS Jack, MRB Asaruddin, SA Bhawani - Chemical and biological …, 2022 - Springer
Background Virgin coconut oil is mostly made up of saturated fatty acids in which
approximately 72% are medium chain triglycerides. Medium chain triglycerides can be …

Discovery of potential FGFR3 inhibitors via QSAR, pharmacophore modeling, virtual screening and molecular docking studies against bladder cancer

M Ganji, S Bakhshi, A Shoari… - Journal of Translational …, 2023 - Springer
Background Fibroblast growth factor receptor 3 is known as a favorable aim in vast range of
cancers, particularly in bladder cancer treatment. Pharmacophore and QSAR modeling …