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Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)- p -cymene complexes with acylthiourea ligands- in vitro and in vivo studies

Dalton transactions : an international journal of inorganic chemistry, 2021-11, Vol.50 (44), p.16311-16325

2021

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Enhanced anticancer activity of half-sandwich Ru(II)-p-cymene complex bearing heterocyclic hydrazone ligand

Inorganic chemistry communications, 2020-09, Vol.119, p.108054, Article 108054

2020

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Chronic Inflammatory-Modulating Potential of Cassia auriculata with Proinflammatory Cytokine IL-1beta and Its Anticancer Effect on Lung Cancer Cell Line

Anti-cancer agents in medicinal chemistry, 2021, Vol.21 (3), p.343-354

2021

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Effective inhibition of insulin amyloid fibril aggregation by nickel(II) complexes containing heterocyclic thiosemicarbazones

European biophysics journal, 2021-12, Vol.50 (8), p.1069-1081

2021

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Synthesis of Palladium(II) Complexes via Michael Addition: Antiproliferative Effects through ROS-Mediated Mitochondrial Apoptosis and Docking with SARS-CoV‑2

Inorganic chemistry, 2020-12, Vol.59 (23), p.17109-17122

2020

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Synthesis, crystal structure, Hirshfeld analysis and in silico studies of 2-chloro-3-(p-tolyl)-3,4-dihydro-2H-benzo[e][1,3,2]oxazaphosphinine 2-sulfide

Results in Chemistry, 2022-01, Vol.4, p.100398, Article 100398

2022

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Discovery of potential TAAR1 agonist targeting neurological and psychiatric disorders: An in silico approach

International journal of biological macromolecules, 2024-04, Vol.264, p.130528-130528, Article 130528

2024

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Orphan receptor GPR88 as a potential therapeutic target for CNS disorders - an in silico approach

Journal of biomolecular structure & dynamics, 2024-06, Vol.42 (9), p.4745-4758

2024

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Crystal structures of the Schiff base derivatives ( E )- N ′-[(1 H -indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and ( E )- N -methyl-2-[1-(2-oxo-2 H -chromen-3-yl)ethylidene]hydrazinecarbothioamide

Acta crystallographica. Section E, Crystallographic communications, 2017-04, Vol.73 (4), p.594-597

2017

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Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity

Journal of molecular structure, 2022-02, Vol.1250, p.131782-131782, Article 131782

2022

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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide

Acta crystallographica. Section E, Crystallographic communications, 2015-07, Vol.71 (Pt 7), p.o455-o456

2015

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Synthesis, cytotoxicity and docking studies (with SARS-CoV-2) of water-soluble binuclear Ru-p-cymene complex holding indole thiosemicarbazone ligand

Inorganic chemistry communications, 2021-12, Vol.134, p.109029-109029, Article 109029

2021

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Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)-3-(3-nitro-phen-yl)propanamide

Acta crystallographica. Section E, Crystallographic communications, 2015-08, Vol.71 (Pt 8), p.o568-o569

2015

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Anti-Cancer Compounds from Terrestrial and Marine Resources -In silico and Experimental Studies

Current computer-aided drug design, 2021-12, Vol.17 (7), p.865-880

2021

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Crystal structure of 2-cyano- N -(furan-2-ylmethyl)acetamide. Corrigendum

Acta crystallographica. Section E, Crystallographic communications, 2015-08, Vol.71 (8), p.e3-e3

2015

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Synthesis, spectroscopic characterizations, single crystal X-ray analysis, DFT calculations, in vitro biological evaluation and in silico evaluation studies of thiosemicarbazones based 1,3,4-thiadiazoles

Journal of molecular structure, 2023-02, Vol.1273, p.134309, Article 134309

2023

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Insights into CFTR Structural Properties and Dynamic Nature of Regulatory Domain using Computational Approach

International journal of bioinformatics research and applications, 2023, Vol.19 (2), p.1

2023

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Synthesis, crystal structure, and in vitro and in silico molecular docking of novel acyl thiourea derivatives

Journal of molecular structure, 2015-08, Vol.1094, p.281-291

2015

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Virtual screening, molecular docking and dynamics simulation studies to identify potential agonists of orphan receptor GPR78 targeting CNS disorders

Journal of receptors and signal transduction, 2024-09, p.1-15

2024

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Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives

European journal of medicinal chemistry, 2021-11, Vol.223, p.113630, Article 113630

2021

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Multifaceted exploration of acylthiourea compounds: In vitro cytotoxicity, DFT calculations, molecular docking and dynamics simulation studies

International journal of biological macromolecules, 2024-10, Vol.278 (Pt 3), p.134870, Article 134870

2024

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Bis(acylthiourea) compounds as enzyme inhibitors: Synthesis, characterization, crystal structures and in silico molecular docking studies

Journal of molecular structure, 2024-02, Vol.1297, p.136977, Article 136977

2024

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Insights into CFTR structural properties and dynamic nature of regulatory domain using computational approach

International journal of bioinformatics research and applications, 2023, Vol.19 (2), p.83-104

2023

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Molecular structures, Hirshfeld analysis and biological investigations of isatin based thiosemicarbazones

Journal of molecular structure, 2019-12, Vol.1198, p.126904, Article 126904

2019

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EVALUATION OF ANTI-DIABETIC ACTIVTY OF DIFFERENT EXTRACTS OF MYRISTICA FRAGRANS HOUTT: IN VITRO AND IN SILICO STUDIES

Asian journal of pharmaceutical and clinical research, 2017-04, Vol.10 (4), p.275

2017

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Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)- p -cymene complexes with acylthiourea ligands- in vitro and in vivo studies

Enhanced anticancer activity of half-sandwich Ru(II)-p-cymene complex bearing heterocyclic hydrazone ligand

Chronic Inflammatory-Modulating Potential of Cassia auriculata with Proinflammatory Cytokine IL-1beta and Its Anticancer Effect on Lung Cancer Cell Line

Effective inhibition of insulin amyloid fibril aggregation by nickel(II) complexes containing heterocyclic thiosemicarbazones

Synthesis of Palladium(II) Complexes via Michael Addition: Antiproliferative Effects through ROS-Mediated Mitochondrial Apoptosis and Docking with SARS-CoV‑2

Synthesis, crystal structure, Hirshfeld analysis and in silico studies of 2-chloro-3-(p-tolyl)-3,4-dihydro-2H-benzo[e][1,3,2]oxazaphosphinine 2-sulfide

Discovery of potential TAAR1 agonist targeting neurological and psychiatric disorders: An in silico approach

Orphan receptor GPR88 as a potential therapeutic target for CNS disorders - an in silico approach

Crystal structures of the Schiff base derivatives ( E )- N ′-[(1 H -indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and ( E )- N -methyl-2-[1-(2-oxo-2 H -chromen-3-yl)ethylidene]hydrazinecarbothioamide

Design and synthesis of heterocyclic azole based bioactive compounds: Molecular structures, quantum simulation, and mechanistic studies through docking as multi-target inhibitors of SARS-CoV-2 and cytotoxicity

Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)acetamide

Synthesis, cytotoxicity and docking studies (with SARS-CoV-2) of water-soluble binuclear Ru-p-cymene complex holding indole thiosemicarbazone ligand

Crystal structure of 2-cyano-N-(furan-2-ylmeth-yl)-3-(3-nitro-phen-yl)propanamide

Anti-Cancer Compounds from Terrestrial and Marine Resources -In silico and Experimental Studies

Crystal structure of 2-cyano- N -(furan-2-ylmethyl)acetamide. Corrigendum

Synthesis, spectroscopic characterizations, single crystal X-ray analysis, DFT calculations, in vitro biological evaluation and in silico evaluation studies of thiosemicarbazones based 1,3,4-thiadiazoles

Insights into CFTR Structural Properties and Dynamic Nature of Regulatory Domain using Computational Approach

Synthesis, crystal structure, and in vitro and in silico molecular docking of novel acyl thiourea derivatives

Virtual screening, molecular docking and dynamics simulation studies to identify potential agonists of orphan receptor GPR78 targeting CNS disorders

Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives

Multifaceted exploration of acylthiourea compounds: In vitro cytotoxicity, DFT calculations, molecular docking and dynamics simulation studies

Bis(acylthiourea) compounds as enzyme inhibitors: Synthesis, characterization, crystal structures and in silico molecular docking studies

Insights into CFTR structural properties and dynamic nature of regulatory domain using computational approach

Molecular structures, Hirshfeld analysis and biological investigations of isatin based thiosemicarbazones

EVALUATION OF ANTI-DIABETIC ACTIVTY OF DIFFERENT EXTRACTS OF MYRISTICA FRAGRANS HOUTT: IN VITRO AND IN SILICO STUDIES

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