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Magnetic solid phase extraction of Sunitinib malate in urine samples assisted with mixed hemimicelle and spectrophotometric detection

Scientific reports, 2023-02, Vol.13 (1), p.3361-3361, Article 3361

2023

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Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder

PloS one, 2024-01, Vol.19 (1), p.e0286848-e0286848

2024

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Synthesis and Characterization of Some New Quinoxalin-2(1H)one and 2-Methyl-3H-quinazolin-4-one Derivatives Targeting the Onset and Progression of CRC with SAR, Molecular Docking, and ADMET Analyses

Molecules (Basel, Switzerland), 2021-05, Vol.26 (11), p.3121

2021

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Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach

Scientific reports, 2022-01, Vol.12 (1), p.1503-1503, Article 1503

2022

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Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study

Chemometrics and intelligent laboratory systems, 2020-11, Vol.206, p.104172-104172, Article 104172

2020

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Author Correction: Multi-target in-silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

Scientific reports, 2024-09, Vol.14 (1), p.20740-1, Article 20740

2024

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Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations

Chemometrics and intelligent laboratory systems, 2021-10, Vol.217, p.104394-104394, Article 104394

2021

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Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

Scientific reports, 2024-07, Vol.14 (1), p.15991-27, Article 15991

2024

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Theranostics: a multifaceted approach utilizing nano-biomaterials

Discover nano, 2024-02, Vol.19 (1), p.35-35, Article 35

2024

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Mesoporous Silica Modified with 2-Phenylimidazo[1,2-a] pyridine-3-carbaldehyde as an Effective Adsorbent for Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study

Molecules (Basel, Switzerland), 2022-08, Vol.27 (16), p.5168

2022

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Quinoline Derivatives with Different Functional Groups: Evaluation of Their Catecholase Activity

Catalysts, 2022-11, Vol.12 (11), p.1468

2022

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Synthesis, molecular modelling, and biological evaluation of novel quinoxaline derivatives for treating type II diabetes

Journal of enzyme inhibition and medicinal chemistry, 2024-12, Vol.39 (1), p.2395985

2024

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QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N -Myristoyltransferase (Hs-NMT) Inhibitors

Molecules (Basel, Switzerland), 2021-03, Vol.26 (7), p.1834

2021

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QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads

Molecules (Basel, Switzerland), 2022-08, Vol.27 (15), p.4951

2022

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Schiff Base Metal Complexes Precursor for Metal Oxide Nanomaterials: A Review

Current nanoscience, 2021-01, Vol.17 (4), p.634-645

2021

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QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA

Molecules (Basel, Switzerland), 2022-07, Vol.27 (15), p.4758

2022

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Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

Pharmaceuticals (Basel, Switzerland), 2021-04, Vol.14 (4), p.357

2021

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Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B

International journal of molecular sciences, 2022-11, Vol.23 (23), p.14527

2022

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Mechanistic and Predictive QSAR Analysis of Diverse Molecules to Capture Salient and Hidden Pharmacophores for Anti-Thrombotic Activity

International journal of molecular sciences, 2021-08, Vol.22 (15), p.8352

2021

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Synthesis, Antiphospholipase A₂, Antiprotease, Antibacterial Evaluation and Molecular Docking Analysis of Certain Novel Hydrazones

Molecules (Basel, Switzerland), 2016-12, Vol.21 (12), p.1664-1664

2016

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Synthesis and Evaluation of Some New 4H-Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations

Pharmaceuticals (Basel, Switzerland), 2022-07, Vol.15 (7), p.891

2022

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QSAR of antitrypanosomal activities of polyphenols and their analogues using multiple linear regression and artificial neural networks

Combinatorial chemistry & high throughput screening, 2014-01, Vol.17 (8), p.709-717

2014

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In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations

Journal of biomolecular structure & dynamics, 2024-03, Vol.42 (5), p.2211-2230

2024

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Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease

Frontiers in aging neuroscience, 2022-08, Vol.14

2022

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Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis

Pharmaceuticals (Basel, Switzerland), 2022-07, Vol.15 (7), p.834

2022

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Magnetic solid phase extraction of Sunitinib malate in urine samples assisted with mixed hemimicelle and spectrophotometric detection

Application of in-silico drug discovery techniques to discover a novel hit for target-specific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder

Synthesis and Characterization of Some New Quinoxalin-2(1H)one and 2-Methyl-3H-quinazolin-4-one Derivatives Targeting the Onset and Progression of CRC with SAR, Molecular Docking, and ADMET Analyses

Identification of potential edible mushroom as SARS-CoV-2 main protease inhibitor using rational drug designing approach

Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study

Author Correction: Multi-target in-silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations

Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors

Theranostics: a multifaceted approach utilizing nano-biomaterials

Mesoporous Silica Modified with 2-Phenylimidazo[1,2-a] pyridine-3-carbaldehyde as an Effective Adsorbent for Cu(II) from Aqueous Solutions: A Combined Experimental and Theoretical Study

Quinoline Derivatives with Different Functional Groups: Evaluation of Their Catecholase Activity

Synthesis, molecular modelling, and biological evaluation of novel quinoxaline derivatives for treating type II diabetes

QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N -Myristoyltransferase (Hs-NMT) Inhibitors

QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads

Schiff Base Metal Complexes Precursor for Metal Oxide Nanomaterials: A Review

QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA

Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

Pharmacophore Synergism in Diverse Scaffold Clinches in Aurora Kinase B

Mechanistic and Predictive QSAR Analysis of Diverse Molecules to Capture Salient and Hidden Pharmacophores for Anti-Thrombotic Activity

Synthesis, Antiphospholipase A₂, Antiprotease, Antibacterial Evaluation and Molecular Docking Analysis of Certain Novel Hydrazones

Synthesis and Evaluation of Some New 4H-Pyran Derivatives as Antioxidant, Antibacterial and Anti-HCT-116 Cells of CRC, with Molecular Docking, Antiproliferative, Apoptotic and ADME Investigations

QSAR of antitrypanosomal activities of polyphenols and their analogues using multiple linear regression and artificial neural networks

In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations

Repurposing food molecules as a potential BACE1 inhibitor for Alzheimer’s disease

Perceiving the Concealed and Unreported Pharmacophoric Features of the 5-Hydroxytryptamine Receptor Using Balanced QSAR Analysis

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