Ушбу иш иқтибос қилган ишлар

111 та иш

Иш: rac-Diethyl-4-methyl-2-phenyl-6-(2-carbamothioylhydrazineylidene)cyclohex-4-en-1,3-dicarboxylate: Synthesis, characterization and computational studies

Computational analysis of aspirin
Larisa E. Alkhimova, Maria G. Babashkina, Damir A. Safin
Мақола20214 иқтибос
ABI
A readily available structural analogue of integrastatins A and B: Insight into the crystal structure, Hirshfeld surface analysis and computational study
Larisa E. Alkhimova, Tatyana M. Burkhanova, Maria G. Babashkina +1
Мақола20224 иқтибос
ABI
Computational Analysis of Molnupiravir
Artem V. Sharov, Tatyana M. Burkhanova, Tuğba Taşkın‐Tok +2
Мақола20224 иқтибос
ABI
A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins
Alena I. Krysantieva, Julia К. Voronina, Damir A. Safin
Мақола20234 иқтибос
ABI
N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins
Isabel García‐Santos, A. Castiñeiras, Bagher Eftekhari‐Sis +2
Мақола20233 иқтибос
ABI
The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry
Damir A. Safin, Jamie M. Frost, Muralee Murugesu
Мақола20153 иқтибос
ABI
Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2(X = Cl, Br) in water: trapping of new self-assembled water–chloride/bromide clusters in a [Co(bpca)2]+host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)
Damir A. Safin, Patrick M. J. Szell, Antonin Keller +3
Мақола20153 иқтибос
ABI
Anion-induced AgIself-assemblies with electron deficient aromatic ligands: anion–π-system interactions as a driving force for templated coordination networks
Damir A. Safin, Amélie Pialat, Alicea A. Leitch +5
Мақола20153 иқтибос
ABI
Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation
Damir A. Safin, Yang Xu, Ilia Korobkov +2
Мақола20133 иқтибос
ABI
Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine
Damir A. Safin, Nikolay Tumanov, Alicea A. Leitch +3
Мақола20153 иқтибос
ABI
Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2
Damir A. Safin, Kevin M. N. Burgess, Ilia Korobkov +2
Мақола20143 иқтибос
ABI
Unprecedented Trinuclear AgI Complex with 2,4,6‐Tris(2‐pyrimidyl)‐1,3,5‐triazine as an Efficient Catalyst for the Aziridination of Olefins
Damir A. Safin, Amélie Pialat, Ilia Korobkov +1
Мақола20153 иқтибос
ABI
Synthesis, characterization and computational studies of a series of the thiazole-thiazolidinone hybrids
Bana Sardar Abdulrahman, Roshna Bahram Nadr, Rebaz Anwar Omer +3
Мақола20242 иқтибос
ABI
A highly substituted isoquinolinethione: Synthesis, crystal structure, DFT analysis and molecular docking studies against a series of the SARS-CoV-2 proteins
Youness El Bakri, Damir A. Safin, Shaaban K. Mohamed +9
Мақола20252 иқтибос
ABI
Synthesis, characterization, experimental and theoretical insights into novel N'-(2-phenylacetyl)picolinohydrazonamide
Ghodrat Mahmoudi, Isabel García‐Santos, A. Castiñeiras +4
Мақола20252 иқтибос
ABI
Antitumor effects of novel nickel–hydrazone complexes in lung cancer cells
Burak Ay, Onur Şahın, Burcu Saygıdeğer Demir +4
Мақола20202 иқтибос
ABI
α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins
Larisa E. Alkhimova, Maria G. Babashkina, Damir A. Safin
Мақола20212 иқтибос
ABI
Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
Larisa E. Alkhimova, Artem V. Sharov, Tatyana M. Burkhanova +2
Мақола20222 иқтибос
ABI
6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
Maria G. Babashkina, Damir A. Safin
Мақола20222 иқтибос
ABI
1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
Maria G. Babashkina, Tuğba Taşkın‐Tok, Tatyana M. Burkhanova +1
Мақола20222 иқтибос
ABI
Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)
Pelin Koparır, Rebaz Anwar Omer, Kamuran Saraç +4
Мақола20222 иқтибос
ABI
In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins
Tatyana M. Burkhanova, Alena I. Krysantieva, Maria G. Babashkina +4
Мақола20222 иқтибос
ABI
A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins
Rebaz Anwar Omer, Pelin Koparır, Kamuran Saraç +2
Мақола20232 иқтибос
ABI
DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal
Nadezhda A. Garkusha, Oksana P. Anikeeva, İmren Bayıl +2
Мақола20232 иқтибос
ABI
A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis
Rebaz Anwar Omar, Pelin Koparır, Metin Koparır +1
Мақола20232 иқтибос
ABI

Ушбу иш иқтибос қилган ишлар

Computational analysis of aspirin

A readily available structural analogue of integrastatins A and B: Insight into the crystal structure, Hirshfeld surface analysis and computational study

Computational Analysis of Molnupiravir

A Novel Ambroxol-Derived Tetrahydroquinazoline with a Potency against SARS-CoV-2 Proteins

N'-isonicotinoylpicolinohydrazonamide: Synthesis, crystal structure, DFT and ADMET studies, and in silico inhibition properties toward a series of COVID-19 proteins

The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry

Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX<sub>2</sub>(X = Cl, Br) in water: trapping of new self-assembled water–chloride/bromide clusters in a [Co(bpca)<sub>2</sub>]<sup>+</sup>host (bpca = bis(2-pyrimidylcarbonyl)amidate anion)

Anion-induced Ag<sup>I</sup>self-assemblies with electron deficient aromatic ligands: anion–π-system interactions as a driving force for templated coordination networks

Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation

Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine

Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO<sub>3</sub>)<sub>2</sub>

Unprecedented Trinuclear Ag<sup>I</sup> Complex with 2,4,6‐Tris(2‐pyrimidyl)‐1,3,5‐triazine as an Efficient Catalyst for the Aziridination of Olefins

Synthesis, characterization and computational studies of a series of the thiazole-thiazolidinone hybrids

A highly substituted isoquinolinethione: Synthesis, crystal structure, DFT analysis and molecular docking studies against a series of the SARS-CoV-2 proteins

Synthesis, characterization, experimental and theoretical insights into novel N'-(2-phenylacetyl)picolinohydrazonamide

Antitumor effects of novel nickel–hydrazone complexes in lung cancer cells

α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins

Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

6-Amino-2-(4-fluorophenyl)-4-(trifluoromethyl)quinoline: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

1-hydroxy-6,6-Dimethyl-3-Phenyl-1,6-Dihydropyridine-2,5-Dione as a Promising Inhibitor of the SARS-CoV-2 Proteins: insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

Synthesis, Characterization and Computational Analysis of Thiophene-2,5-Diylbis((3-Mesityl-3-Methylcyclobutyl)Methanone)

In silico analyses of betulin: DFT studies, corrosion inhibition properties, ADMET prediction, and molecular docking with a series of SARS-CoV-2 and monkeypox proteins

A novel coumarin-triazole-thiophene hybrid: synthesis, characterization, ADMET prediction, molecular docking and molecular dynamics studies with a series of SARS-CoV-2 proteins

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

A novel cyclobutane-derived thiazole–thiourea hybrid with a potency against COVID-19 and tick-borne encephalitis: synthesis, characterization, and computational analysis