نتائج البحث

Synthesis, spectroscopic characterization, DFT and molecular docking of N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl) naphthalene-1-sulfonamide derivatives

• Authors : Ashraf, Sajda; Iqbal, Shazia; Sebhaoui, Jihad

Subjects: DFT; Docking; Hirschfield surface analysis

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Exploring 2-Pyrazoline derivatives as potent antidiabetic agents and cholinesterase inhibitors: Their synthesis and molecular docking studies

• Authors : Uğraş, Z.; Tok, F.; Çakir, C.

Subjects: Butyrylcholinesterase; Docking; Docking studies

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Synthesis of naproxen thiadiazole urea hybrids and determination of their anti-melanoma, anti-migration, tyrosinase inhibitory activity, and molecular docking studies

• Authors : Zengin Kurt, Belma; Altundağ, Özlem; Gökçe, Mustafa

Subjects: Naproxen Urea; Thiadiazole ring; Tyrosinase inhibition

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2-methylindole analogs as cholinesterases and glutathione S-transferase inhibitors: Synthesis, biological evaluation, molecular docking, and pharmacokinetic studies: 2-methylindole analogs as cholinesterases and glutathione S-transferase inhibitors

• Authors : Çetin, Adnan; Bursal, Ercan; Türkan F.

Subjects: Enzyme inhibition; Computational studies; Molecular docking

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DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal

• Authors : Garkusha, N. A.; Anikeeva, O. P.; Bayıl, I.

Subjects: COMPUTATIONAL STUDY; COVID-19; DENSITY FUNCTIONAL THEORY

• Source: Journal of the Indian Chemical Society

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Identification of RdRp inhibitors against SARS-CoV-2 through E-pharmacophore-based virtual screening, molecular docking and MD simulations approaches

• Authors : Rehman, H. M.; Sajjad, M.; Ali, M. A.

Subjects: ADME/T; COVID-19; REAL DATABASE – ENAMINE

• Source: International Journal of Biological Macromolecules

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Synthesis, characterization of some substituted Quinolines derivatives: DFT, computational, in silico ADME, molecular docking and biological activities

• Authors : Golea, Lynda; Chebaki, Rachid; Laabassi, Mohammed ...

Subjects: Alcohols quinolines; Molecular docking; Antibacterial

• Source: ISSN: 2405-8300 ; Chemical Data Collections ; https://univ-rennes.hal.science/hal-03975234 ; Chemical Data Collections, 2023, 43, pp.100977. ⟨10.1016/j.cdc.2022.100977⟩.

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Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study

• Authors : Küçük, Ceyhun; Yurdakul, Senay; Çelik, Sibel ...

Subjects: 2-Methyl-quinoxaline; AIM; Molecular docking

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Synthesis of water soluble symmetric and asymmetric pillar[5]arene derivatives: Cytotoxicity, apoptosis and molecular docking studies

• Authors : Liman R.; Kursunlu A.N.; Ozmen M.

Subjects: Apoptosis; Molecular docking; mRNA

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New Schiff bases with a 2,6-bis(2-aminophenylthio)pyridine moiety acting as glutathione reductase activator and inhibitors: Synthesis and molecular docking studies

• Authors : Tunç, Turgay; Ortaakarsu, Ahmet Buğra; Hatipoğlu, Seda Muhsir ...

Subjects: Glutathione reductase activator; Glutathione reductase inhibitor; Molecular docking

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