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Methods and applications of structure based pharmacophores in drug discovery

Current topics in medicinal chemistry, 2013-05, Vol.13 (9), p.1036-1047

2013

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Improving Tamoxifen Performance in Inducing Apoptosis and Hepatoprotection by Loading on a Dual Nanomagnetic Targeting System

Anti-cancer agents in medicinal chemistry, 2024-01, Vol.24 (13), p.1016-1028

2024

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Discovery and Design of Radiopharmaceuticals by In silico Methods

Current radiopharmaceuticals, 2022-01, Vol.15 (4), p.271-319

2022

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The Relationship Between Patients’ Perceived Health Status and Trust Propensity and Privacy Calculus

Journal of Research & Health, 2021-08, Vol.11 (4), p.245-250

2021

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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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A mechanistic explanation of two novel Zn(II) dithiocarbamate complexes with β-lactoglobulin

Journal of biomolecular structure & dynamics, 2021-09, Vol.39 (14), p.5117-5128

2021

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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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Alcohol-based deep eutectic solvents with pH-responsive hydrophobicity for the analysis of herbicides in water and fruit juice samples

Separation and purification technology, 2024-07, Vol.339, p.126607, Article 126607

2024

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Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (7), p.1800-1812

2019

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Experimental design for removal of lead ions from water samples using an engineered novel chitosan functionalized Schiff-base adsorbent

Chemical engineering communications, 2023-11, Vol.210 (11), p.2022-2034

2023

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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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Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening

Journal of receptors and signal transduction, 2018-01, Vol.38 (1), p.37-47

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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Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5'-dmbpy)Cl 4 and human serum albumin: Combination of spectroscopic and molecular modeling technique

Journal of biomolecular structure & dynamics, 2017-11, Vol.35 (14), p.3098-3106

2017

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Comparative study on the anticancer activities and binding properties of a hetero metal binuclear complex [Co(dipic)2Ni(OH2)5]·2H2O (dipic=dipicolinate) with two carrier proteins

Journal of pharmaceutical and biomedical analysis, 2017-10, Vol.145, p.273-282

2017

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Anti-cancer study and whey protein complexation of new lanthanum(III) complex with the aim of achieving bioactive anticancer metal-based drugs

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (8), p.2072-2085

2019

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Corrigendum to “Increase delivery, cytotoxicity, stability and induction of apoptosis in cisplatin by establishing a new complex with methotrexate” [J. Drug Deliv. Sci. Technol. 86 (September 2023) 104683]

Journal of drug delivery science and technology, 2024-02, Vol.92, p.105272, Article 105272

2024

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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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Predicting stability constants of transition metals; Y 3+ , La 3+ , and UO 2 2+ with organic ligands using the 3D-QSPR methodology

Journal of receptors and signal transduction, 2021-02, Vol.41 (1), p.59-66

2021

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Predicting stability constants of transition metals; Y3+, La3+, and UO2 2+ with organic ligands using the 3D-QSPR methodology

Journal of receptors and signal transduction, 2021-02, Vol.41 (1), p.59-66

2021

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

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

2023

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Molecular docking and 3D-QSAR studies of falcipain inhibitors using CoMFA, CoMSIA, and Open3DQSAR

Medicinal chemistry research, 2012-10, Vol.21 (10), p.2788-2806

2012

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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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Synthesis, characterization, protein interaction and antibacterial activity of a lanthanum(iii) complex [La(Trp)3(OH2)2] (Trp = tryptophan) as a new precursor for synthesis of La2O2CO3 nanoparticlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7nj00692f

2017-08

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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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Methods and applications of structure based pharmacophores in drug discovery

Improving Tamoxifen Performance in Inducing Apoptosis and Hepatoprotection by Loading on a Dual Nanomagnetic Targeting System

Discovery and Design of Radiopharmaceuticals by In silico Methods

The Relationship Between Patients’ Perceived Health Status and Trust Propensity and Privacy Calculus

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

A mechanistic explanation of two novel Zn(II) dithiocarbamate complexes with β-lactoglobulin

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

Alcohol-based deep eutectic solvents with pH-responsive hydrophobicity for the analysis of herbicides in water and fruit juice samples

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

Experimental design for removal of lead ions from water samples using an engineered novel chitosan functionalized Schiff-base adsorbent

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

Identification of new potential HIV-1 reverse transcriptase inhibitors by QSAR modeling and structure-based virtual screening

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

Assessment of the interaction procedure between Pt(IV) prodrug [Pt(5,5'-dmbpy)Cl 4 and human serum albumin: Combination of spectroscopic and molecular modeling technique

Comparative study on the anticancer activities and binding properties of a hetero metal binuclear complex [Co(dipic)2Ni(OH2)5]·2H2O (dipic=dipicolinate) with two carrier proteins

Anti-cancer study and whey protein complexation of new lanthanum(III) complex with the aim of achieving bioactive anticancer metal-based drugs

Corrigendum to “Increase delivery, cytotoxicity, stability and induction of apoptosis in cisplatin by establishing a new complex with methotrexate” [J. Drug Deliv. Sci. Technol. 86 (September 2023) 104683]

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

Predicting stability constants of transition metals; Y 3+ , La 3+ , and UO 2 2+ with organic ligands using the 3D-QSPR methodology

Predicting stability constants of transition metals; Y3+, La3+, and UO2 2+ with organic ligands using the 3D-QSPR methodology

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

Molecular docking and 3D-QSAR studies of falcipain inhibitors using CoMFA, CoMSIA, and Open3DQSAR

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

Synthesis, characterization, protein interaction and antibacterial activity of a lanthanum(iii) complex [La(Trp)3(OH2)2] (Trp = tryptophan) as a new precursor for synthesis of La2O2CO3 nanoparticlesElectronic supplementary information (ESI) available. See DOI: 10.1039/c7nj00692f

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

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