A5002707637- Synthesis and biological activity
- Computational Drug Discovery Methods
- Synthesis and Biological Evaluation
- Phenothiazines and Benzothiazines Synthesis and Activities
- SARS-CoV-2 and COVID-19 Research
- Synthesis and Characterization of Heterocyclic Compounds
- Cholinesterase and Neurodegenerative Diseases
- Bioactive Compounds and Antitumor Agents
- Cancer therapeutics and mechanisms
- Click Chemistry and Applications
- Viral gastroenteritis research and epidemiology
- Multicomponent Synthesis of Heterocycles
- Carbohydrate Chemistry and Synthesis
- Natural Antidiabetic Agents Studies
- Inorganic and Organometallic Chemistry
- Parasitic Infections and Diagnostics
- Chemical synthesis and alkaloids
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Viral Infections and Immunology Research
- Crystallization and Solubility Studies
- Essential Oils and Antimicrobial Activity
- Steroid Chemistry and Biochemistry
- Synthesis of heterocyclic compounds
- Chemical Synthesis and Reactions
- Parasitic Diseases Research and Treatment
Erciyes University
2018-2025
Bozok Universitesi
2021-2023
University of Chittagong
2022
Université Nangui Abrogoua
2022
University of Dhaka
2022
In this study, p-tert-butyl at position 2 and acetamide bridged 4-substituted piperazine/piperidine 5 bearing benzoxazole derivatives were evaluated for their in vitro inhibitory activity against AChE, BChE Tyrosinase, which are important targets reducing the adverse effects of Alzheimer's disease. The most active 1 g inhibited a concentration 50 µM by 54 ± 0.75%. Molecular docking studies compounds (PDB: 4BDS) performed with Schrödinger AutoDock Vina results compared. scores found to be...
Since the outbreak emerged in November 2019, no effective drug has yet been found against SARS-CoV-2. Repositioning studies of existing molecules or candidates are gaining overcoming COVID-19. Antiviral drugs such as remdesivir, favipiravir, ribavirin, and galidesivir act by inhibiting vital RNA polymerase The importance silico repurposing research is gradually increasing during COVID-19 process. present study that especially ribavirin triphosphate active metabolites had a higher affinity...
Abstract In this study, synthesis, characterization, and biological activities of 30 original 5‐methyl/ethylsulfonyl‐2‐(4‐(4‐substituted piperazine/piperidine)acetamido)phenylbenzoxazole derivatives were investigated. The structures the final compounds characterized using 1 H NMR, 13 C mass spectroscopy. Then, all newly synthesized screened for their antimicrobial against S. aureus ATCC 29213, E. faecalis 29212, coli 25922, P. aeruginosa 27853, C. albicans 10231, drug‐resistant isolates by...
Due to the uneven distribution of glycosidase enzyme expression across bacteria and fungi, glycoside derivatives antimicrobial compounds provide prospective promising materials. Therefore, herein, we report synthesis characterization six novel methyl 4,6-O-benzylidene-α-d-glucopyranoside (MBG) (2-7). The structures were ascertained using spectroscopic techniques elemental analyses. Antimicrobial tests (zone inhibition, MIC MBC) carried out determine their ability inhibit growth different...
(2021). Design, synthesis, molecular docking, density functional theory and antimicrobial studies of some novel benzoxazole derivatives as structural bioisosteres nucleotides. Journal Biomolecular Structure Dynamics: Vol. 39, No. 9, pp. 3080-3091.
In this study, a total of 17 piece 2,5-disubstituted benzoxazole derivatives were synthesized, 2 which not original, their antimicrobial activities determined using microdilution method and in vitro cytotoxic investigated on MCF-7 A549 cells by MTT test. When the activity results are examined, although antibacterial effects weaker than standard drugs; 3N13 3N19 against Candida albicans isolate showed closest to fluconazole with MIC: 16 µg/ml. The cytotoxicity test was measured at...
Molecular docking, molecular dynamics, DFT, ADME prediction, and antimicrobial activity studies of some 2-(substituted)oxazolo[4,5-<italic>b</italic>]pyridine derivatives were carried out.
We previously synthesized a series of quinoline-2-carbaldehyde hydrazone derivatives and evaluated their antioxidant activities. In this study, the antimicrobial activities these were activity by microdilution method, there cytotoxic effect was investigated in MCF-7 A549 cells MTT assay. When results examined, although quinoline equal or better than standard drugs general, compound 4 (2 µg/mL) 8 (1 against E. faecalis 5 (8 P. aeruginosa are most effective series. Besides, disk diffusion test...
In this work, numerous novel 2‐(p‐substitutedphenyl)‐5‐[(p‐substitutedphenyl)sulfonylamido]benzoxazole derivatives were designed, synthesized, and structurally characterized using mass spectroscopy, 1H‐NMR, 13C‐NMR, elemental analysis approaches. The antimicrobial activity against several Gram (+), (‐), fungal species was determined the in vitro microdilution technique. A molecular docking performed on all produced compounds utilizing S. aureus Gyrase complex with Ciprofloxacin DNA. Two of...
Leading pathological markers of Alzheimer's disease (AD) include Acetylcholinesterase (AChE), Butyrylcholinesterase (BuChE), Amyloid beta (Aβ) and reactive oxygen species (ROS). Indole derivatives were identified optimized to improve the potency against AChE, BuChE, Aβ ROS. The lead molecule IND-30 was found be selective for AChE (selectivity ratio: 22.92) in comparison BuChE showed maximum inhibition potential human (IC
15 new 1<italic>H</italic>-benzimidazole-5-carboxamidine derivatives were synthesized, their antimicrobial effects evaluated, and molecular docking DFT studies performed.
In this study, a new series of indole-5-carbaldehyde hydrazone derivative compounds were designed, synthesized, and their antimicrobial activities determined by the microdilution method, in vitro cytotoxic effects on Beas-2b cell lines investigated MTT assay. When activity results examined, 5i12 showed promising against E. faecalis with MIC: 2 µg/mL compared to ampicillin, gentamicin, vancomycin, although indole derivatives generally weaker than those standard drugs. Compounds no A549,...
The hybrid molecules bearing heterocyclic structures in the A or D rings of steroids have significant biological activity. 16 (E)-Hetereoarylidene were synthesized from reaction different heteroaromatic carbaldehydes and trans-Dehydroepiandrosterone (DHEA) a basic medium. Then, synthesis N-formyl pyrazoline substituted new DHEA derivatives carried out hydrazine hydrate (E)-hetereoarylidene steroids. compounds elucidated by elemental analysis, FT-IR, 1H NMR, 13C NMR spectroscopy. To...
Objective: In this study, it was aimed to perform in silico studies on the papain-like protease structure of SARS-CoV-2 (PDB: 7JIT) 1300 FDA-approved drugs downloaded from ZINC database. Material and Method: A molecular docking study performed with PLpro (PDB ID: using four different programs for a total obtained Conivaptan amphotericin B were analysis AutoDock Vina Sybyl-X, respectively. Docking Glide SP XP resulted fludarabine panobinostat, Molecular dynamics simulations period 120 ns...
There is an urgent need to develop new antimicrobial drugs due the rapid development of resistance increasing microbial infectious diseases and used in their treatment. Also, compounds synthesized for use cancer treatment limit cytotoxic effect on normal cells cancerous cells, side effects are high. For this reason, researches continue intensify developed be selectively effective reduce as much possible. Within study's scope, 7 2-(p-substituted phenyl)-5-(2-substitutedacetamido) were 3...
Objective: SARS-CoV-2 is a pandemic virus characterized by upper respiratory tract infection and can range from mild symptoms to severe complications. In this case, drug repurposing computer-aided studies have become very important find emergency solutions. study, drug-target interactions on three nonstructural protein structures of 8820 candidates or molecules obtained the DrugBank database were analyzed. Material Method: Comprehensive virtual screening molecular docking performed RNA...