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Effect of N-phenyl substituent on thermal, optical, electrochemical and luminescence properties of 3-aminophthalimide derivatives

Scientific reports, 2023-11, Vol.13 (1), p.19801-19801, Article 19801

2023

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The ORP basis set designed for optical rotation calculations

Journal of computational chemistry, 2013-09, Vol.34 (23), p.2006-2013

2013

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New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes

Journal of computational chemistry, 2013-02, Vol.34 (4), p.275-283

2013

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Synthesis and in vitro antiproliferative activity of thiazole-based nitrogen mustards: the hydrogen bonding interaction between model systems and nucleobases

Anti-cancer agents in medicinal chemistry, 2014-01, Vol.14 (9), p.1271

2014

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Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum

Journal of computational chemistry, 2014-01, Vol.35 (3), p.199-203

2014

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Thiazole-based nitrogen mustards: Design, synthesis, spectroscopic studies, DFT calculation, molecular docking, and antiproliferative activity against selected human cancer cell lines

Journal of molecular structure, 2016-09, Vol.1119, p.139-150

2016

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New basis set for the prediction of the specific rotation in flexible biological molecules

RSC advances, 2016-01, Vol.6 (24), p.19897-19902

2016

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Triazene salts: Design, synthesis, ctDNA interaction, lipophilicity determination, DFT calculation, and antiproliferative activity against human cancer cell lines

Saudi pharmaceutical journal, 2019-03, Vol.27 (3), p.303-311

2019

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Towards understanding the interaction of (S)-thalidomide with nucleobases

Archives of biochemistry and biophysics, 2020-10, Vol.693, p.108566, Article 108566

2020

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The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

Structural chemistry, 2013-10, Vol.24 (5), p.1485-1492

2013

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Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp

Journal of molecular structure, 2016-03, Vol.1108, p.427-437

2016

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Synthesis, lipophilicity determination, DFT calculation, antifungal and DPPH radical scavenging activities of tetrahydrothiophen-3-one based thiazoles

Journal of molecular structure, 2018-11, Vol.1171, p.717-725

2018

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Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N 2 intermolecular potential and microwave spectrum

Journal of computational chemistry, 2014-01, Vol.35 (3), p.199-203

2014

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Novel Azocoumarin Derivatives-Synthesis and Characterization

International journal of molecular sciences, 2022-05, Vol.23 (10), p.5767

2022

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Thiazoles with cyclopropyl fragment as antifungal, anticonvulsant, and anti-Toxoplasma gondii agents: synthesis, toxicity evaluation, and molecular docking study

Medicinal chemistry research, 2018, Vol.27 (9), p.2125-2140

2018

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Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles

Theoretical chemistry accounts, 2018-03, Vol.137 (3), p.1-10, Article 46

2018

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Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2H-thiopyran-4-yl based thiazoles and selenazoles

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup2), p.24-39

2016

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Synthesis, molecular docking, ctDNA interaction, DFT calculation and evaluation of antiproliferative and anti-Toxoplasma gondii activities of 2,4-diaminotriazine-thiazole derivatives

Medicinal chemistry research, 2018, Vol.27 (4), p.1131-1148

2018

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The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2103-2109

2019

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Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies

International journal of molecular sciences, 2020-11, Vol.21 (23), p.9050

2020

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On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules

Journal of computational chemistry, 2013-04, Vol.34 (10), p.819-826

2013

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Recent studies on the thalidomide and its derivatives

Future medicinal chemistry, 2018-09, Vol.10 (18), p.2133-2136

2018

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Efficient polarized basis sets for evaluation of static and dynamic molecular electric properties: FULL PAPER

International journal of quantum chemistry, 2016-07, Vol.116 (14), p.1084-1089

Baranowska-Łączkowska, Angelika

2016

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Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2 H -thiopyran-4-yl based thiazoles and selenazoles

Journal of enzyme inhibition and medicinal chemistry, 2016-11, Vol.31 (sup2), p.24-39

2016

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Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N^sub 2^ intermolecular potential and microwave spectrum

Journal of computational chemistry, 2014-01, Vol.35 (3), p.199

2014

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Effect of N-phenyl substituent on thermal, optical, electrochemical and luminescence properties of 3-aminophthalimide derivatives

The ORP basis set designed for optical rotation calculations

New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes

Synthesis and in vitro antiproliferative activity of thiazole-based nitrogen mustards: the hydrogen bonding interaction between model systems and nucleobases

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum

Thiazole-based nitrogen mustards: Design, synthesis, spectroscopic studies, DFT calculation, molecular docking, and antiproliferative activity against selected human cancer cell lines

New basis set for the prediction of the specific rotation in flexible biological molecules

Triazene salts: Design, synthesis, ctDNA interaction, lipophilicity determination, DFT calculation, and antiproliferative activity against human cancer cell lines

Towards understanding the interaction of (S)-thalidomide with nucleobases

The B–H–B bridging interaction in B-substituted oxazaborolidine–borane complexes: a theoretical study

Synthesis, antimicrobial evaluation and theoretical prediction of NMR chemical shifts of thiazole and selenazole derivatives with high antifungal activity against Candida spp

Synthesis, lipophilicity determination, DFT calculation, antifungal and DPPH radical scavenging activities of tetrahydrothiophen-3-one based thiazoles

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N 2 intermolecular potential and microwave spectrum

Novel Azocoumarin Derivatives-Synthesis and Characterization

Thiazoles with cyclopropyl fragment as antifungal, anticonvulsant, and anti-Toxoplasma gondii agents: synthesis, toxicity evaluation, and molecular docking study

Theoretical calculation of NMR shifts in newly developed antibacterial 4-formylbenzoic acid-based thiazoles

Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2H-thiopyran-4-yl based thiazoles and selenazoles

Synthesis, molecular docking, ctDNA interaction, DFT calculation and evaluation of antiproliferative and anti-Toxoplasma gondii activities of 2,4-diaminotriazine-thiazole derivatives

The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes

Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies

On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities of π-conjugated molecules

Recent studies on the thalidomide and its derivatives

Efficient polarized basis sets for evaluation of static and dynamic molecular electric properties: FULL PAPER

Synthesis, antimicrobial and anticonvulsant screening of small library of tetrahydro-2 H -thiopyran-4-yl based thiazoles and selenazoles

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N^sub 2^ intermolecular potential and microwave spectrum

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