Rac1 as a Target to Treat Dysfunctions and Cancer of the Bladder

V Sauzeau, J Beignet, C Bailly - Biomedicines, 2022 - mdpi.com
Bladder pathologies, very common in the aged population, have a considerable negative
impact on quality of life. Novel targets are needed to design drugs and combinations to treat …

Design, synthesis, and molecular modeling studies of a novel benzimidazole as an aromatase inhibitor

UA Çevik, I Celik, J Mella, M Mellado, Y Özkay… - ACS …, 2022 - ACS Publications
In this study, a series of novel 1, 3, 4-oxadiazole-benzimidazole derivatives were designed
and synthesized. Their cytotoxic activities against five cancer cell lines, including A549, MCF …

Combined 3D-QSAR and docking analysis for the design and synthesis of chalcones as potent and selective monoamine oxidase B inhibitors

M Mellado, C González, J Mella, LF Aguilar, D Viña… - Bioorganic …, 2021 - Elsevier
Monoamine oxidases (MAOs) are important targets in medicinal chemistry, as their inhibition
may change the levels of different neurotransmitters in the brain, and also the production of …

Coumarin-Resveratrol-Inspired Hybrids as Monoamine Oxidase B Inhibitors: 3-Phenylcoumarin versus trans-6-Styrylcoumarin

M Mellado, C González, J Mella, LF Aguilar, I Celik… - Molecules, 2022 - mdpi.com
Monoamine oxidases (MAOs) are attractive targets in drug design. The inhibition of one of
the isoforms (A or B) is responsible for modulating the levels of different neurotransmitters in …

Quantitative structure–activity relationships analysis, homology modeling, docking and molecular dynamics studies of triterpenoid saponins as Kirsten rat sarcoma …

M Stitou, H Toufik, M Bouachrine… - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract Oncogenic Kirsten RAt Sarcoma (KRAS) mutations are attractive targets in non-
small-cell lung cancer (NSCLC). Thus, the objective of this work is to discover promising …

2D-QSAR, 3D-QSAR, molecular docking and ADMET prediction studies of some novel 2-((1H-indol-3-yl) thio)-N-phenyl-acetamide derivatives as anti-influenza A …

M Abdullahi, A Uzairu, GA Shallangwa… - Egyptian Journal of …, 2022 - Taylor & Francis
Due to the emergence of drug-resistant strains of influenza A virus (IAV) in recent times, the
need to search and discover more potent anti-IAV inhibitors is of great interest, especially …

[PDF][PDF] RETRACTED: In-silico modelling studies of 5-benzyl-4-thiazolinone derivatives as influenza neuraminidase inhibitors via 2D-QSAR, 3D-QSAR, molecular …

M Abdullahi, A Uzairu, GA Shallangwa, PA Mamza… - Heliyon, 2022 - cell.com
Influenza virus disease is one of the most infectious diseases responsible for many human
deaths, and the high mutability of the virus causes drug resistance effects in recent times. As …

Hyphenated 3D-QSAR statistical model-scaffold hopping analysis for the identification of potentially potent and selective sigma-2 receptor ligands

G Floresta, A Rescifina, A Marrazzo, M Dichiara… - European Journal of …, 2017 - Elsevier
A 3D quantitative structure-activity relationship (3D-QSAR) model for predicting the σ 2
receptor affinity has been constructed with the aim of providing a useful tool for the …

Structure-activity relationships based on 3D-QSAR CoMFA/CoMSIA and design of aryloxypropanol-amine agonists with selectivity for the human β3-adrenergic …

M Lorca, C Morales-Verdejo, D Vásquez-Velásquez… - Molecules, 2018 - mdpi.com
The wide tissue distribution of the adrenergic β3 receptor makes it a potential target for the
treatment of multiple pathologies such as diabetes, obesity, depression, overactive bladder …

Organic compounds based on 1-(prop-2-yn-1-ylamino)-2, 3-dihydro-1H-indene-4-thiol as selective human monoamine oxidase B inhibitors. Quantitative analysis of …

MA El Alaouy, S El Bahi, M Boutalaka… - Moroccan Journal of …, 2023 - revues.imist.ma
Abstract After Alzheimer's disease, Parkinson's disease is the most prevalent
neurodegenerative condition. Because it is fatal and affects a large proportion of the world's …