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QSAR and molecular docking studies of isatin and indole derivatives as SARS 3CLpro inhibitors

BMC chemistry, 2023-04, Vol.17 (1), p.32-32, Article 32

2023

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Hit discovery of potential CDK8 inhibitors and analysis of amino acid mutations for cancer therapy through computer-aided drug discovery

BMC chemistry, 2024-04, Vol.18 (1), p.73-73, Article 73

2024

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Structural insights into the origin of phosphoinositide 3-kinase inhibition

Structural chemistry, 2020-08, Vol.31 (4), p.1505-1522

2020

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Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs

Saudi pharmaceutical journal, 2016-03, Vol.24 (2), p.197-212

2016

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Improving enzymatic performance of antioxidant enzyme catalase in combination with [Mn (phen)2Cl.H2O]Cl.tu complex

Applied organometallic chemistry, 2023-04, Vol.37 (4), p.n/a

2023

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Hydrothermal synthesis of a paramagnetic alkali supermolecule, its effect on catalase inhibitory by spectroscopic and theoretical investigation

Inorganica Chimica Acta, 2020-12, Vol.513, p.119946, Article 119946

2020

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Evaluation of in silico ADMET analysis and human serum albumin interactions of a new lanthanum(III) complex by spectroscopic and molecular modeling studies

Inorganica Chimica Acta, 2017-07, Vol.463, p.80-87

2017

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In silico approaches to explore structure of new GPR 119 agonists for treatment of type 2 diabetes mellitus

Medicinal chemistry research, 2017-05, Vol.26 (5), p.947-961

2017

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Palladium and platinum complexes of folic acid as new drug delivery systems for treatment of breast cancer cells

Journal of molecular structure, 2021-04, Vol.1229, p.129806, Article 129806

2021

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Synthesis, characterization, in silico ADMET prediction, and protein binding analysis of a novel zinc(II) Schiff-base complex: Application of multi-spectroscopic and computational techniques

Journal of biomolecular structure & dynamics, 2018-05, Vol.36 (7), p.1666-1680

2018

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A multidisciplinary study for investigating the interaction of an iron complex with bovine liver catalase

Applied organometallic chemistry, 2022-11, Vol.36 (11), p.n/a

2022

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Hyaluronan magnetic nanoparticle for mitoxantrone delivery toward CD44-positive cancer cells

Colloids and surfaces, B, Biointerfaces, 2018-11, Vol.171, p.150-158

2018

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Exploring isoxsuprine hydrochloride binding with human serum albumin in the presence of folic acid and ascorbic acid using multispectroscopic and molecular modeling methods

Journal of photochemistry and photobiology. B, Biology, 2017-05, Vol.170, p.152-163

2017

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3D-QSAR and Molecular Docking Study on Maleimide-Based Glycogen Synthase Kinase 3 (GSK-3) Inhibitors as Stimulators of Steroidogenesis

Polycyclic aromatic compounds, 2020-05, Vol.40 (3), p.743-757

2020

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The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells

Molecular diversity, 2022-06, Vol.26 (3), p.1545-1555

2022

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Characterization of the interaction between a platinum(II) complex and human serum albumin: spectroscopic analysis and molecular docking

Journal of the Iranian Chemical Society, 2016-04, Vol.13 (4), p.723-731

2016

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Increase delivery, cytotoxicity, stability and induction of apoptosis in cisplatin by establishing a new complex with methotrexate

Journal of drug delivery science and technology, 2023-09, Vol.86, p.104683, Article 104683

2023

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Synthesis, Characterization, Cytotoxicity and Detailed HSA Interaction of New Zinc(II) Complexes Containing Dithiocarbamate and Heterocyclic N-donor Ligands

Polycyclic aromatic compounds, 2019-05, Vol.39 (3), p.220-237

2019

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Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5′-dmbpy)Cl4 and human serum albumin: Combination of spectroscopic and molecular modeling technique

Journal of biomolecular structure & dynamics, 2017-10, Vol.35 (14), p.3098-3106

2017

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The in vitro apoptotic effect of new zinc complex possessing folic acid and phenanthroline on cervix cancer cells

Applied organometallic chemistry, 2022-02, Vol.36 (2), p.n/a

2022

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Identification of new positron emission tomography (PET) imaging agents for the ghrelin receptor in disease through molecular modeling

Network modeling and analysis in health informatics and bioinformatics (Wien), 2024-08, Vol.13 (1), p.40, Article 40

2024

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An explorative study on potent Gram-negative specific LpxC inhibitors: CoMFA, CoMSIA, HQSAR and molecular docking

Journal of receptors and signal transduction, 2018-04, Vol.38 (2), p.151-165

2018

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Hyaluronic acid/polyethylene glycol nanoparticles for controlled delivery of mitoxantrone

Artificial cells, nanomedicine, and biotechnology, 2018-05, Vol.46 (3), p.500-509

2018

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Computer-aided molecular design of some indolinone derivatives of PLK4 inhibitors as novel anti-proliferative agents

Medicinal chemistry research, 2016-11, Vol.25 (11), p.2643-2665

2016

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QSAR and molecular docking studies of isatin and indole derivatives as SARS 3CLpro inhibitors

Hit discovery of potential CDK8 inhibitors and analysis of amino acid mutations for cancer therapy through computer-aided drug discovery

Structural insights into the origin of phosphoinositide 3-kinase inhibition

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs

Improving enzymatic performance of antioxidant enzyme catalase in combination with [Mn (phen)2Cl.H2O]Cl.tu complex

Hydrothermal synthesis of a paramagnetic alkali supermolecule, its effect on catalase inhibitory by spectroscopic and theoretical investigation

Evaluation of in silico ADMET analysis and human serum albumin interactions of a new lanthanum(III) complex by spectroscopic and molecular modeling studies

In silico approaches to explore structure of new GPR 119 agonists for treatment of type 2 diabetes mellitus

Palladium and platinum complexes of folic acid as new drug delivery systems for treatment of breast cancer cells

Synthesis, characterization, in silico ADMET prediction, and protein binding analysis of a novel zinc(II) Schiff-base complex: Application of multi-spectroscopic and computational techniques

A multidisciplinary study for investigating the interaction of an iron complex with bovine liver catalase

Hyaluronan magnetic nanoparticle for mitoxantrone delivery toward CD44-positive cancer cells

Exploring isoxsuprine hydrochloride binding with human serum albumin in the presence of folic acid and ascorbic acid using multispectroscopic and molecular modeling methods

3D-QSAR and Molecular Docking Study on Maleimide-Based Glycogen Synthase Kinase 3 (GSK-3) Inhibitors as Stimulators of Steroidogenesis

The role of folic acid in inducing of apoptosis by zinc(II) complex in ovary and cervix cancer cells

Characterization of the interaction between a platinum(II) complex and human serum albumin: spectroscopic analysis and molecular docking

Increase delivery, cytotoxicity, stability and induction of apoptosis in cisplatin by establishing a new complex with methotrexate

Synthesis, Characterization, Cytotoxicity and Detailed HSA Interaction of New Zinc(II) Complexes Containing Dithiocarbamate and Heterocyclic N-donor Ligands

Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5′-dmbpy)Cl4 and human serum albumin: Combination of spectroscopic and molecular modeling technique

The in vitro apoptotic effect of new zinc complex possessing folic acid and phenanthroline on cervix cancer cells

Identification of new positron emission tomography (PET) imaging agents for the ghrelin receptor in disease through molecular modeling

An explorative study on potent Gram-negative specific LpxC inhibitors: CoMFA, CoMSIA, HQSAR and molecular docking

Hyaluronic acid/polyethylene glycol nanoparticles for controlled delivery of mitoxantrone

Computer-aided molecular design of some indolinone derivatives of PLK4 inhibitors as novel anti-proliferative agents

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