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Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (7), p.1813-1829

2019

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AMADAR: a python-based package for large scale prediction of Diels–Alder transition state geometries and IRC path analysis

Journal of cheminformatics, 2022-06, Vol.14 (1), p.39-39, Article 39

2022

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A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2024-01, Vol.20 (7), p.721-732

2024

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Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2022-01, Vol.18 (9), p.970-979

2022

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The Molecular Basis of the Effect of Temperature on the Structure and Function of SARS-CoV-2 Spike Protein

Frontiers in molecular biosciences, 2022-03, Vol.9, p.794960-794960

2022

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Seed Extract of Psoralea corylifolia and Its Constituent Bakuchiol Impairs AHL-Based Quorum Sensing and Biofilm Formation in Food- and Human-Related Pathogens

Frontiers in cellular and infection microbiology, 2018-10, Vol.8, p.351-351

2018

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Towards the synthesis of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors

Tetrahedron letters, 2010-12, Vol.51 (48), p.6325-6328

2010

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Inhibitory effects of selected cannabinoids against dipeptidyl peptidase IV, an enzyme linked to type 2 diabetes

Heliyon, 2024-01, Vol.10 (1), p.e23289-e23289, Article e23289

2024

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Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

International journal of biological macromolecules, 2018-02, Vol.107 (Pt B), p.2580-2589

2018

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High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (8), p.2179-2192

2019

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Isomerization of the 2-Norbornyl Carbocation

European journal of organic chemistry, 2015-08, Vol.2015 (24), p.5370-5380

Lobb, Kevin A.

2015

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Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs

Scientific reports, 2016-03, Vol.6 (1), p.23690-23690, Article 23690

2016

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Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies

International journal of biological macromolecules, 2018-05, Vol.111, p.548-560

2018

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Photo-and thermoresponsive N -salicylideneaniline derivatives: solid-state studies and structural aspects

New journal of chemistry, 2022-11, Vol.46 (43), p.20940-20950

2022

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Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase

International journal of biological macromolecules, 2018-05, Vol.111, p.208-218

2018

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SANCDB: a South African natural compound database

Journal of cheminformatics, 2015-06, Vol.7 (1), p.29-29, Article 29

2015

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Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced denaturation

International journal of biological macromolecules, 2018-10, Vol.117, p.1252-1263

2018

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Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

Journal of biomolecular structure & dynamics, 2016-10, Vol.34 (10), p.2084-2101

2016

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Synthesis and anti-parasitic activity of N-benzylated phosphoramidate Mg2+-chelating ligands

Bioorganic chemistry, 2020-12, Vol.105, p.104280, Article 104280

2020

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Synthetic Analogues of the Marine Bisindole Deoxytopsentin: Potent Selective Inhibitors of MRSA Pyruvate Kinase

Journal of natural products (Washington, D.C.), 2015-03, Vol.78 (3), p.355-362

2015

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Synthesis and anti-parasitic activity of achiral N-benzylated phosphoramidic acid derivatives

Bioorganic chemistry, 2020-08, Vol.101, p.103947-103947, Article 103947

2020

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Exploring DOXP-reductoisomerase binding limits using phosphonated N-aryl and N-heteroarylcarboxamides as DXR inhibitors

Bioorganic & medicinal chemistry, 2013-07, Vol.21 (14), p.4332-4341

2013

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Synthesis of camphor-derived chiral auxiliaries and their application in asymmetric Morita-Baylis-Hillman reactions

ARKIVOC, 2016-09, Vol.2016 (5), p.151-163

2016

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Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors

Bioorganic & medicinal chemistry, 2011-02, Vol.19 (3), p.1321-1327

2011

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Dual-Catalyst Acceleration of Tandem Disulfide Cleavage and Baylis-Hillman Synthesis of 2H-1-Benzothiopyran Derivatives

Synthetic communications, 2013-07, Vol.43 (13), p.1837-1841

2013

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Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

AMADAR: a python-based package for large scale prediction of Diels–Alder transition state geometries and IRC path analysis

A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase

Drug Resistance in the HIV-1 Subtype C Protease Enzyme: A High Throughput Virtual Screening Approach in Search of New Ligands with Activity

The Molecular Basis of the Effect of Temperature on the Structure and Function of SARS-CoV-2 Spike Protein

Seed Extract of Psoralea corylifolia and Its Constituent Bakuchiol Impairs AHL-Based Quorum Sensing and Biofilm Formation in Food- and Human-Related Pathogens

Towards the synthesis of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors

Inhibitory effects of selected cannabinoids against dipeptidyl peptidase IV, an enzyme linked to type 2 diabetes

Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

High throughput screening, docking, and molecular dynamics studies to identify potential inhibitors of human calcium/calmodulin-dependent protein kinase IV

Isomerization of the 2-Norbornyl Carbocation

Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs

Exploring molecular insights into the interaction mechanism of cholesterol derivatives with the Mce4A: A combined spectroscopic and molecular dynamic simulation studies

Photo-and thermoresponsive N -salicylideneaniline derivatives: solid-state studies and structural aspects

Mechanistic insights into the urea-induced denaturation of kinase domain of human integrin linked kinase

SANCDB: a South African natural compound database

Unravelling the unfolding mechanism of human integrin linked kinase by GdmCl-induced denaturation

Analysis of non-peptidic compounds as potential malarial inhibitors against Plasmodial cysteine proteases via integrated virtual screening workflow

Synthesis and anti-parasitic activity of N-benzylated phosphoramidate Mg2+-chelating ligands

Synthetic Analogues of the Marine Bisindole Deoxytopsentin: Potent Selective Inhibitors of MRSA Pyruvate Kinase

Synthesis and anti-parasitic activity of achiral N-benzylated phosphoramidic acid derivatives

Exploring DOXP-reductoisomerase binding limits using phosphonated N-aryl and N-heteroarylcarboxamides as DXR inhibitors

Synthesis of camphor-derived chiral auxiliaries and their application in asymmetric Morita-Baylis-Hillman reactions

Synthesis and evaluation of phosphonated N-heteroarylcarboxamides as DOXP-reductoisomerase (DXR) inhibitors

Dual-Catalyst Acceleration of Tandem Disulfide Cleavage and Baylis-Hillman Synthesis of 2H-1-Benzothiopyran Derivatives

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