Folic acid antimetabolites (antifolates): a brief review on synthetic strategies and application opportunities

IS Kovalev, GV Zyryanov, S Santra, A Majee… - Molecules, 2022 - mdpi.com
Antimetabolites of folic acid represent a large group of drugs and drug candidates, including
those for cancer chemotherapy. In this current review, the most common methods and …

Weapons and strategies against COVID-19: A perspective

R Mishra, K Chaudhary, I Mishra - Current Pharmaceutical …, 2024 - benthamdirect.com
Currently, there are no approved treatments for the fatal infectious coronavirus disease. The
process of identifying new applications for approved pharmaceuticals is called drug …

Computational bioprospecting guggulsterone against ADP ribose phosphatase of SARS-CoV-2

M Kciuk, S Mujwar, I Rani, K Munjal, A Gielecińska… - Molecules, 2022 - mdpi.com
Coronavirus Disease-2019 (COVID-19) is a highly contagious disease caused by Severe
Acute Respiratory Syndrome-Coronavirus-2 (SARS-CoV-2). The World Health Organization …

In silico bioprospecting of taraxerol as a main protease inhibitor of SARS-CoV-2 to develop therapy against COVID-19

S Mujwar, RK Harwansh - Structural Chemistry, 2022 - Springer
COVID-19 was caused by a novel coronavirus known as SARS-CoV-2. The COVID-19
disease outbreak has been avowed as a global pandemic by the World Health Organization …

[HTML][HTML] Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies

M Er-rajy, S Mujwar, H Imtara, SZ Alshawwa… - Arabian Journal of …, 2023 - Elsevier
The overexpression of cyclooxygenase-2 (COX-2) was clearly associated with
carcinogenesis, and COX-2 as a possible target has long been exploited for cancer therapy …

Computational design, synthesis, and pharmacological evaluation of naproxen-guaiacol chimera for gastro-sparing anti-inflammatory response by selective COX2 …

P Shinu, M Sharma, GL Gupta, S Mujwar, M Kandeel… - Molecules, 2022 - mdpi.com
The 4-allyl guaiacol is a natural phenolic molecule that has been widely studied for its
antioxidant capacity against reactive-oxygen-species-mediated cellular damage. Therefore …

Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation

M Er-Rajy, M El Fadili, S Mujwar… - Journal of …, 2023 - Taylor & Francis
Tropomyosin receptor kinase (TRK) enzymes are responsible for different types of tumors
caused by neurotrophic tyrosine receptor kinase gene fusion and have been identified as an …

In silico insights into the design of novel NR2B-selective NMDA receptor antagonists: QSAR modeling, ADME-toxicity predictions, molecular docking, and molecular …

M El Fadili, M Er-Rajy, S Mujwar, A Ajala, R Bouzammit… - BMC chemistry, 2024 - Springer
Based on a structural family of thirty-two NR2B-selective N-Methyl-D-Aspartate receptor
(NMDAR) antagonists, two phenylpiperazine derivatives labeled C37 and C39 were …

Agarwood oil nanoemulsion counteracts LPS-induced inflammation and oxidative stress in RAW264. 7 mouse macrophages

R Malik, KR Paudel, B Manandhar, G De Rubis… - … -Research and Practice, 2023 - Elsevier
Purpose Oxidative stress and inflammation are key pathophysiological features of chronic
respiratory diseases, including asthma and chronic obstructive pulmonary disease (COPD) …

QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme

M Er-rajy, ME Fadili, S Mujwar, FZ Lenda… - Structural Chemistry, 2023 - Springer
Thioredoxin reductase (TrxR) plays an important role in the reduction of thioredoxin (Trx),
which is found to be involved in the upregulation of a diversity of tumors, including those …