Investigation of antibacterial mode of action of ω-aminoalkoxylxanthones by NMR-based metabolomics and molecular docking DOI

P. D. de Oliveira,

Allana Cristina Faustino Martins, Roberto da Silva Gomes

et al.

Metabolomics, Journal Year: 2024, Volume and Issue: 21(1)

Published: Dec. 4, 2024

Language: Английский

Emerging Trends in Bioinspired Superhydrophobic and Superoleophobic Sustainable Surfaces DOI Creative Commons

Cerys M. Cormican,

Sinem Bektaş,

Francisco J. Martín‐Martínez

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 18, 2025

Abstract Inspired by nature's ability to master materials for performance and sustainability, biomimicry has enabled the creation of bioinspired structural color, superadhesion, hydrophobicity hydrophilicity, among many others. This review summarizes emerging trends in novel sustainable fluorocarbon‐free designs creating superhydrophobic superoleophobic surfaces. It discusses methods, challenges, future directions, alongside impact computational modeling artificial intelligence accelerating experimental development more surface materials. While significant progress is made materials, surfaces remain a challenge. However, bioinspiration techniques supported platforms are paving way new renewable biodegradable repellent that meet environmental standards without sacrificing performance. Nevertheless, despite concerns, policies, several still continue apply fluorination other environmentally harmful achieve required standard repellency. As discussed this critical review, paradigm integrates advanced characterization, nanotechnology, additive manufacturing, modeling, coming, generate with tailored superhydrophobicity superoleophobicity while adhering standards.

Language: Английский

Citations

2

Quinoline Derivatives as Promising Scaffolds for Antitubercular Activity: A Comprehensive Review DOI
Mohammad Owais, Arun Kumar, S. S. Hasan

et al.

Mini-Reviews in Medicinal Chemistry, Journal Year: 2024, Volume and Issue: 24(13), P. 1238 - 1251

Published: Jan. 8, 2024

Heterocyclic compounds and their derivatives play a significant role in the design development of novel quinoline drugs. Among various pharmacologically active heterocyclic compounds, quinolines stand out as most rings due to broad pharmacological roles, specifically antitubercular activity, presence plant-based compounds. Quinoline is also known benzpyridine, benzopyridine, 1-azanaphthalene. It has benzene ring fused with pyridine ring, both share two carbon atoms. The importance lies its incorporation key component natural found medicinal plant families like

Language: Английский

Citations

4

Spectroscopic and Quantum chemical studies of some novel mixed-ligand complexes of vanadium and Comparative evaluation of their antimicrobial and antioxidant activities DOI

Kulsum Hashmi,

Smita Rai, Swati Sharma

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 113967 - 113967

Published: Jan. 1, 2025

Language: Английский

Citations

0

Pharmacophore-guided computational modeling of quinolone-ATPase conjugate inhibitors targeting DNA GyrB subunit of Staphylococcus aureus DOI
Md. Al Amin,

Md. Jakir Hossain,

Md. Kawsar Habib

et al.

Computers in Biology and Medicine, Journal Year: 2025, Volume and Issue: 186, P. 109727 - 109727

Published: Jan. 25, 2025

Language: Английский

Citations

0

An insight into in silico strategies used for exploration of medicinal utilty and toxicology of Nanomaterials DOI
Tahmeena Khan

Computational Biology and Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 108435 - 108435

Published: March 1, 2025

Language: Английский

Citations

0

Computational Drug-Likeness Studies of Selected Thiosemicarbazones: A Sustainable Approach for Drug Designing DOI Creative Commons

Ekhlakh Veg,

Kulsum Hashmi,

Satya Satya

et al.

Published: April 2, 2025

Language: Английский

Citations

0

Synthesis, characterization and bio-evaluation of novel series of pyrazoline derivatives as potential antifungal agents DOI Creative Commons
Chandra Shekhar Yadav,

Atul Krishna,

Suriya P. Singh

et al.

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: April 28, 2025

Language: Английский

Citations

0

What is the plausibility that all drugs will be designed by computers by the end of the decade? DOI Open Access
José L. Medina‐Franco, Edgar López‐López

Expert Opinion on Drug Discovery, Journal Year: 2024, Volume and Issue: 19(5), P. 507 - 510

Published: March 19, 2024

KEYWORDS: Artificial intelligenceautomatizationcomputer-aided drug designcomputationally driven discoveryde novodrug discoveryeducationin silico design

Citations

3

Ion Channel and Transporter Involvement in Chemotherapy-Induced Peripheral Neurotoxicity DOI Open Access
E Pozzi, Giulia Terribile,

Laura Cherchi

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(12), P. 6552 - 6552

Published: June 14, 2024

The peripheral nervous system can encounter alterations due to exposure some of the most commonly used anticancer drugs (platinum drugs, taxanes, vinca alkaloids, proteasome inhibitors, thalidomide), so-called chemotherapy-induced neurotoxicity (CIPN). CIPN be long-lasting or even permanent, and it is detrimental for quality life cancer survivors, being associated with persistent disturbances such as sensory loss neuropathic pain at limb extremities a mostly axonal polyneuropathy/neuronopathy. In state art, there no efficacious preventive/curative treatment this condition. Among reasons unmet clinical scientific need, an uncomplete knowledge pathogenetic mechanisms. Ion channels transporters are pivotal elements in both central system, growing body literature suggesting that they might play role development. review, we first describe biophysical properties these targets then report existing data involvement ion CIPN, thus paving way new approaches/druggable cure and/or prevent CIPN.

Language: Английский

Citations

3

Modeling of Dipeptide Sulfonamides as Anti-Plasmodial Drugs: Synthesis, Characterization, DFT and In Silico Studies DOI
Ogechi C. Ekoh,

Rawlings A. Timothy,

Fredrick C. Asogwa

et al.

Chemistry Africa, Journal Year: 2024, Volume and Issue: 7(5), P. 2369 - 2381

Published: March 20, 2024

Language: Английский

Citations

2