New Acetophenone Scaffolds: Synthesis, Antifungal Activities, Biocompatibility, Molecular Docking, ADMET Analysis, and Dynamic Simulations DOI
Ghada G. El‐Bana, Basma T. Abd-Elhalim, Ahmed F. El‐Sayed

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140452 - 140452

Published: Oct. 1, 2024

Language: Английский

Insight into divergent chemical modifications of chitosan biopolymer: Review DOI
Elsayed M. Elnaggar,

Moustafa S. Abusaif,

Yasser M. Abdel-Baky

et al.

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 277, P. 134347 - 134347

Published: July 31, 2024

Language: Английский

Citations

16
Discovery of new anti-diabetic potential agents based on paracetamol incorporating sulfa-drugs: Design, synthesis, α-amylase, and α-glucosidase inhibitors with molecular docking simulation DOI
Hamdy Khamees Thabet, Ahmed Ragab, Mohd Imran

et al.

European Journal of Medicinal Chemistry, Journal Year: 2024, Volume and Issue: 275, P. 116589 - 116589

Published: June 12, 2024

Language: Английский

Citations

6
Unveiling anti-diabetic potential of new thiazole-sulfonamide derivatives: Design, synthesis, in vitro bio-evaluation targeting DPP-4, α-glucosidase, and α-amylase with in-silico ADMET and docking simulation DOI
Hamdy Khamees Thabet, Yousry A. Ammar, Mohd Imran

et al.

Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 151, P. 107671 - 107671

Published: July 23, 2024

Language: Английский

Citations

5
Synthesis and modification of novel thiazole-fused quinoxalines as new insecticidal agents against the cotton leafworm Spodoptera litura: design, characterization, in vivo bio-evaluation, toxicological effectiveness, and study their mode of action DOI Creative Commons
Doaa M. Elsisi,

Moustafa S. Abusaif,

Eman El-Said

et al.

RSC Advances, Journal Year: 2025, Volume and Issue: 15(2), P. 1391 - 1406

Published: Jan. 1, 2025

New insecticidal agents based on quinoxaline derivatives targeting the cotton leafworm, Spodoptera litura .

Language: Английский

Citations

0
Novel 3‐Substituted‐2H‐Chromene Scaffold Based Fluorinated Hydrophobic Fragment as In‐Vitro Antiproliferative Agents and Apoptosis Inducers Targeting Both VEGFR‐2/BRAFV600E and h‐DHFR With Molecular Docking Simulation DOI Open Access
Mohamed A. Salem,

Moustafa S. Abusaif,

Nirvana A. Gohar

et al.

Drug Development Research, Journal Year: 2025, Volume and Issue: 86(2)

Published: March 28, 2025

ABSTRACT Recently, there has been an increasing interest in the use of protein kinase inhibitors as a therapeutic strategy for treatment cancer. In this study, new series 2 H ‐chromene derivatives ( ‐ 5 and 6 8 ) 3 ‐benzo[ f ]chromene carbohydrazide derivative 9 were synthesized. The structure designed was characterized by IR, 1 H/ 13 C NMR, elemental analysis. Moreover, cytotoxic activity newly synthesized chromenes evaluated against breast cancer cell lines (MDA‐MB‐231 MCF‐7) cervical line (HeLa). results these evaluations demonstrated promising activity, ranging from good to moderate. Additionally, lung fibroblast (WI‐38), normal line, also utilized assess active derivatives' selectivity. Among compounds tested, chromene highest potency, exhibiting IC 50 values 5.36 ± 0.50, 7.82 0.60, 9.28 0.70 µM MDA‐MB 231, MCF‐7, HeLa lines, respectively. potential chromone multi‐targeted anticancer agent assessed evaluating its BRAF VEGFR‐2. Notably, most significant VEGFR2 with value 0.224 compared sorafenib's 0.045 µM, while inhibitory 1.695 relative Vemurafenib's 0.468 µM. addition, compound inhibits DHFR enzyme 2.217 0.014 methotrexate (IC = 0.4315 0.019 µM). These revealed that multifaceted mechanisms action may augment effectiveness. causes overexpression caspase‐3 Bax 6.13 8.85‐fold, It downregulates antiapoptotic Bcl‐2 level 0.4775‐fold untreated 231 cells. Flow cytometry analysis MDA‐MB‐231 cells indicates induces cycle arrest G0‐G1 phase, observed percentage 73.15%. in‐silico toxicity prediction profile. Finally, molecular docking studies supported findings confirming strong binding affinities VEGFR‐2, BRAF, DHFR.

Language: Английский

Citations

0
Entry to 4,5-Fused Coumarin frameworks via Radical-Promoted Alkylative Intramolecular C5-Annulation DOI
Chada Raji Reddy,

Venkatareddy Edhara,

Ankita Kumari

et al.

Organic & Biomolecular Chemistry, Journal Year: 2024, Volume and Issue: 22(31), P. 6385 - 6392

Published: Jan. 1, 2024

A silver-catalyzed oxidative protocol for the synthesis of previously unfamiliar 4,5-fused coumarins is disclosed.

Language: Английский

Citations

1
Design, Synthesis, Biological Evaluation and Molecular Docking Studies of New Thiazolidinone Derivatives as NNRTIs and SARS‐CoV‐2 Main Protease Inhibitors DOI Creative Commons
Maria Fesatidou, Anthi Petrou, Athina Geronikaki

et al.

Chemistry & Biodiversity, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 23, 2024

Abstract HIV‐1 remains a major health problem worldwide since the virus has developed drug‐resistant strains, so, need for novel agents is urgent. The protein reverse transcriptase plays fundamental role in viruses’ replication cycle. FDA approved Delavirdine bearing sulfonamide moiety, while thiazolidinone demonstrated significant anti‐HIV activity as core heterocycle or derivative of substituted heterocycles. In this study, thirty new derivatives (series A, B and C) group were designed, synthesized evaluated their RT inhibition predicted by computer program PASS taking into account best features available NNRTIs well against SARS‐COV‐2 main protease. Seven compounds showed good inhibitory activity, with two them, C1 C2 being better (IC 50 0.18 μΜ & 0.12 respectively) than reference drug nevirapine 0.31 μΜ). evaluation molecules to inhibit protease revealed that 6 exhibited excellent moderate them (B4 B10) having IC values (0.15 0.19 inhibitor GC376 0.439 docking studies coincides experimental results, showing binding mode both enzymes.

Language: Английский

Citations

1
Synthesis, structural characterization, computational studies, and in silico and in vitro biological activities of cyclodextrin inclusion complex with sulfonamide derived from L-valine as antimicrobial and anti-HIV-1 agents DOI

Zineb Attou,

Yamina Abdi,

Yassamina Arbia

et al.

Structural Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 24, 2024

Language: Английский

Citations

1
The role of the sulfaguanidine molecular scaffold in drug design and development DOI Open Access
Hamada S. Abulkhair

Archiv der Pharmazie, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 10, 2024

Abstract Developing new molecular entities is one of the most emerging research areas in field Medicinal Chemistry. Over past few years, rigorous has been conducted on sulfaguanidine‐linked synthetic molecules because their promising potential several biological activities. Sulfaguanidine actively incorporated design anticancer, antimicrobial, antidiabetic, antiparkinsonian, anti‐inflammatory, and antiviral candidates. The construction these effective candidates adopted many chemical approaches. A number prepared compounds displayed results that merit further investigations for development medications. This review summarizes different strategies reported activities throughout 2020–2024.

Language: Английский

Citations

1
New Acetophenone Scaffolds: Synthesis, Antifungal Activities, Biocompatibility, Molecular Docking, ADMET Analysis, and Dynamic Simulations DOI
Ghada G. El‐Bana, Basma T. Abd-Elhalim, Ahmed F. El‐Sayed

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140452 - 140452

Published: Oct. 1, 2024

Language: Английский

Citations

0