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New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods

International journal of molecular sciences, 2023-05, Vol.24 (11), p.9583

2023

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Small Molecules of Natural Origin as Potential Anti-HIV Agents: A Computational Approach

Life (Basel, Switzerland), 2021-07, Vol.11 (7), p.722

2021

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Virtual screening and drug repurposing experiments to identify potential novel selective MAO-B inhibitors for Parkinson’s disease treatment

Molecular diversity, 2021-08, Vol.25 (3), p.1775-1794

2021

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Structure- and ligand- based studies to gain insight into the pharmacological implications of histamine H3 receptor

Structural chemistry, 2021-06, Vol.32 (3), p.1141-1149

2021

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In silico studies on smoothened human receptor and its antagonists in search of anticancer effects

Journal of the Serbian Chemical Society, 2020, Vol.85 (3), p.335-346

2020

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Editorial on the Special Issue “Natural Compounds Applications in Drug Discovery and Development”

Processes, 2024-06, Vol.12 (6), p.1152

2024

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Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking

Current pharmaceutical design, 2013, Vol.19 (12), p.2194-2203

2013

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Social-emotional Development in Adolescents and Friendship. A Theoretical Review

Educatia 21, 2023-01 (24), p.57-63

2023

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Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids

Environmental science and pollution research international, 2019-05, Vol.26 (14), p.14547-14561

2019

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QSAR study and molecular docking on indirubin inhibitors of Glycogen Synthase Kinase-3

Central European journal of chemistry, 2013, Vol.11 (1), p.63-77

2013

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DrugCentral 2021 supports drug discovery and repositioning

Nucleic acids research, 2021-01, Vol.49 (D1), p.D1160-D1169

2021

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Implementation of PLS discriminant analysis to rank indirubin derivatives against decoys

Central European journal of chemistry, 2013-10, Vol.11 (10), p.1644-1656

2013

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Correction: Exploring DrugCentral: from molecular structures to clinical effects

Journal of computer-aided molecular design, 2024-12, Vol.38 (1), p.2-2, Article 2

2024

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Enhancing Molecular Promiscuity Evaluation Through Assay Profiles

Pharmaceutical research, 2018-11, Vol.35 (11), p.240-10, Article 240

2018

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Predictive Models for Fast and Effective Profiling of Kinase Inhibitors

Journal of chemical information and modeling, 2016-05, Vol.56 (5), p.895-905

2016

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Diarylthiazole and diarylimidazole selective COX-1 inhibitor analysis through pharmacophore modeling, virtual screening, and DFT-based approaches

Structural chemistry, 2019-12, Vol.30 (6), p.2311-2326

2019

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Exploring DrugCentral: from molecular structures to clinical effects

Journal of computer-aided molecular design, 2023-12, Vol.37 (12), p.681-694

2023

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Modeling Kinase Inhibition Using Highly Confident Data Sets

Journal of chemical information and modeling, 2018-05, Vol.58 (5), p.957-967

2018

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Off-Patent Drug Repositioning

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5746-5753

2020

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DrugCentral 2023 extends human clinical data and integrates veterinary drugs

Nucleic acids research, 2023-01, Vol.51 (D1), p.D1276-D1287

2023

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Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking

Structural chemistry, 2019-06, Vol.30 (3), p.911-923

2019

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Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora

Molecular informatics, 2022-03, Vol.41 (3), p.e2100058-n/a

2022

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ColBioS-FlavRC: A Collection of Bioselective Flavonoids and Related Compounds Filtered from High-Throughput Screening Outcomes

Journal of chemical information and modeling, 2014-08, Vol.54 (8), p.2360-2370

2014

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ChemProt: a disease chemical biology database

Nucleic acids research, 2011-01, Vol.39 (Database issue), p.D367-D372

2011

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PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

Journal of chemical information and modeling, 2011-12, Vol.51 (12), p.3169-3179

2011

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New Insights on the Activity and Selectivity of MAO-B Inhibitors through In Silico Methods

Small Molecules of Natural Origin as Potential Anti-HIV Agents: A Computational Approach

Virtual screening and drug repurposing experiments to identify potential novel selective MAO-B inhibitors for Parkinson’s disease treatment

Structure- and ligand- based studies to gain insight into the pharmacological implications of histamine H3 receptor

In silico studies on smoothened human receptor and its antagonists in search of anticancer effects

Editorial on the Special Issue “Natural Compounds Applications in Drug Discovery and Development”

Modeling of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one derivatives by several conformational searching tools and molecular docking

Social-emotional Development in Adolescents and Friendship. A Theoretical Review

Neonicotinoid insecticide design: molecular docking, multiple chemometric approaches, and toxicity relationship with Cowpea aphids

QSAR study and molecular docking on indirubin inhibitors of Glycogen Synthase Kinase-3

DrugCentral 2021 supports drug discovery and repositioning

Implementation of PLS discriminant analysis to rank indirubin derivatives against decoys

Correction: Exploring DrugCentral: from molecular structures to clinical effects

Enhancing Molecular Promiscuity Evaluation Through Assay Profiles

Predictive Models for Fast and Effective Profiling of Kinase Inhibitors

Diarylthiazole and diarylimidazole selective COX-1 inhibitor analysis through pharmacophore modeling, virtual screening, and DFT-based approaches

Exploring DrugCentral: from molecular structures to clinical effects

Modeling Kinase Inhibition Using Highly Confident Data Sets

Off-Patent Drug Repositioning

DrugCentral 2023 extends human clinical data and integrates veterinary drugs

Portraying the selectivity of GSK-3 inhibitors towards CDK-2 by 3D similarity and molecular docking

Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora

ColBioS-FlavRC: A Collection of Bioselective Flavonoids and Related Compounds Filtered from High-Throughput Screening Outcomes

ChemProt: a disease chemical biology database

PLS-DA - Docking Optimized Combined Energetic Terms (PLSDA-DOCET) Protocol: A Brief Evaluation

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