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Most Promising Compounds for Treating COVID-19 and Recent Trends in Antimicrobial & Antifungal Agents

Current topics in medicinal chemistry, 2020-01, Vol.20 (24), p.2119

Nayarisseri, Anuraj

2020

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Genome analysis of biosurfactant producing bacterium, Bacillus tequilensis

PloS one, 2023-06, Vol.18 (6), p.e0285994-e0285994

2023

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Functional Inhibition of VEGF and EGFR Suppressors in Cancer Treatment

Current topics in medicinal chemistry, 2019-01, Vol.19 (3), p.178

2019

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Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation

Current topics in medicinal chemistry, 2020-01, Vol.20 (24), p.2146

2020

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Structure-Based Virtual Screening for the Identification of High Affinity Compounds as Potent VEGFR2 Inhibitors for the Treatment of Renal Cell Carcinoma

Current topics in medicinal chemistry, 2018-01, Vol.18 (25), p.2174

2018

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Identification and Characterization of Lipopeptide Biosurfactant Producing Microbacterium sp Isolated from Brackish River Water

Current topics in medicinal chemistry, 2020-01, Vol.20 (24), p.2221

2020

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Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer

Scientific reports, 2024-06, Vol.14 (1), p.13251-21, Article 13251

2024

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In Silico Insights on GD2 : A Potential Target for Pediatric Neuroblastoma

Current topics in medicinal chemistry, 2019-01, Vol.19 (30), p.2766

2019

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Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer

Journal of molecular modeling, 2022-04, Vol.28 (4), p.100, Article 100

2022

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Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile

Molecules (Basel, Switzerland), 2023-08, Vol.28 (16), p.6011

2023

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Structural Insights into the Molecular Design of ROS1 Inhibitor for the Treatment of Non-Small Cell Lung Cancer (NSCLC)

Current computer-aided drug design, 2021-01, Vol.17 (3), p.387

2021

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A Virtual Screening Approach for the Identification of High Affinity Small Molecules Targeting BCR-ABL1 Inhibitors for the Treatment of Chronic Myeloid Leukemia

Current topics in medicinal chemistry, 2017-01, Vol.17 (26), p.2989

2017

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An in silico approach for identification of novel inhibitors as a potential therapeutics targeting HIV-1 viral infectivity factor

Current topics in medicinal chemistry, 2015-01, Vol.15 (1), p.65

2015

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Helix-Coil Transition Signatures B-Raf V600E Mutation and Virtual Screening for Inhibitors Directed Against Mutant B-Raf

Current drug metabolism, 2017-07, Vol.18 (6), p.527

2017

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Identification of Small Molecule as a High Affinity β2 Agonist Promiscuously Targeting Wild and Mutated (Thr164Ile) β 2 Adrenergic Receptor in the Treatment of Bronchial Asthma

Current pharmaceutical design, 2016-09, Vol.22 (34), p.5221

2016

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Development of MLR and SVM Aided QSAR Models to Identify Common SAR of GABA Uptake Herbal Inhibitors used in the Treatment of Schizophrenia

Current neuropharmacology, 2017-11, Vol.15 (8), p.1085-1092

2017

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Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer Treatment

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2024-01, Vol.20 (3), p.352

2024

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High Affinity Pharmacological Profiling of Dual Inhibitors Targeting RET and VEGFR2 in Inhibition of Kinase and Angiogeneis Events in Medullary Thyroid Carcinoma

Asian Pacific journal of cancer prevention : APJCP, 2015-11, Vol.16 (16), p.7089-7095

2015

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Common SAR Derived from Multiple QSAR Models on Vorinostat Derivatives Targeting HDACs in Tumor Treatment

Current pharmaceutical design, 2016-01, Vol.22 (33), p.5072

2016

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Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound

Journal of experimental nanoscience, 2022-12, Vol.17 (1), p.247-273

2022

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Identification of LOGP values and Electronegativities as structural insights to model inhibitory activity of HIV-1 capsid inhibitors - a SVM and MLR aided QSAR studies

Current topics in medicinal chemistry, 2012-08, Vol.12 (16), p.1763

2012

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Multiclass comparative virtual screening to identify novel Hsp90 inhibitors: a therapeutic breast cancer drug target

Current topics in medicinal chemistry, 2015-01, Vol.15 (1), p.57

2015

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Identification of high affinity bioactive Salbutamol conformer directed against mutated (Thr164Ile) beta 2 adrenergic receptor

Current topics in medicinal chemistry, 2015-01, Vol.15 (1), p.50

2015

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Molecular docking approaches in identification of High affinity inhibitors of Human SMO receptor

Bioinformation, 2014-12, Vol.10 (12), p.737-742

2014

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Mechanistics in drug design - experimental molecular biology vs. molecular modeling

Current topics in medicinal chemistry, 2015, Vol.15 (1), p.3

2015

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Most Promising Compounds for Treating COVID-19 and Recent Trends in Antimicrobial & Antifungal Agents

Genome analysis of biosurfactant producing bacterium, Bacillus tequilensis

Functional Inhibition of VEGF and EGFR Suppressors in Cancer Treatment

Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics Simulation

Structure-Based Virtual Screening for the Identification of High Affinity Compounds as Potent VEGFR2 Inhibitors for the Treatment of Renal Cell Carcinoma

Identification and Characterization of Lipopeptide Biosurfactant Producing Microbacterium sp Isolated from Brackish River Water

Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical Cancer

In Silico Insights on GD2 : A Potential Target for Pediatric Neuroblastoma

Structure-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation of VEGF inhibitors for the clinical treatment of Ovarian Cancer

Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile

Structural Insights into the Molecular Design of ROS1 Inhibitor for the Treatment of Non-Small Cell Lung Cancer (NSCLC)

A Virtual Screening Approach for the Identification of High Affinity Small Molecules Targeting BCR-ABL1 Inhibitors for the Treatment of Chronic Myeloid Leukemia

An in silico approach for identification of novel inhibitors as a potential therapeutics targeting HIV-1 viral infectivity factor

Helix-Coil Transition Signatures B-Raf V600E Mutation and Virtual Screening for Inhibitors Directed Against Mutant B-Raf

Identification of Small Molecule as a High Affinity β2 Agonist Promiscuously Targeting Wild and Mutated (Thr164Ile) β 2 Adrenergic Receptor in the Treatment of Bronchial Asthma

Development of MLR and SVM Aided QSAR Models to Identify Common SAR of GABA Uptake Herbal Inhibitors used in the Treatment of Schizophrenia

Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer Treatment

High Affinity Pharmacological Profiling of Dual Inhibitors Targeting RET and VEGFR2 in Inhibition of Kinase and Angiogeneis Events in Medullary Thyroid Carcinoma

Common SAR Derived from Multiple QSAR Models on Vorinostat Derivatives Targeting HDACs in Tumor Treatment

Synthesis, crystal structure, hirshfeld surface analysis, molecular docking and molecular dynamics studies of novel olanzapinium 2,5-dihydroxybenzoate as potential and active antipsychotic compound

Identification of LOGP values and Electronegativities as structural insights to model inhibitory activity of HIV-1 capsid inhibitors - a SVM and MLR aided QSAR studies

Multiclass comparative virtual screening to identify novel Hsp90 inhibitors: a therapeutic breast cancer drug target

Identification of high affinity bioactive Salbutamol conformer directed against mutated (Thr164Ile) beta 2 adrenergic receptor

Molecular docking approaches in identification of High affinity inhibitors of Human SMO receptor

Mechanistics in drug design - experimental molecular biology vs. molecular modeling

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