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Molecular Docking and Dynamics Simulation Studies Predict Potential Anti-ADAR2 Inhibitors: Implications for the Treatment of Cancer, Neurological, Immunological and Infectious Diseases

International journal of molecular sciences, 2023-04, Vol.24 (7), p.6795

2023

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ADAR Family Proteins: A Structural Review

Current issues in molecular biology, 2024-05, Vol.46 (5), p.3919-3945

2024

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Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors

International journal of molecular sciences, 2023-03, Vol.24 (7), p.6298

2023

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In Silico Screening of Isocitrate Lyase for Novel Anti-Buruli Ulcer Natural Products Originating from Africa

Molecules (Basel, Switzerland), 2018-06, Vol.23 (7), p.1550

2018

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Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24

Computers in biology and medicine, 2019-10, Vol.113, p.103414-103414, Article 103414

2019

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Computational Analysis Predicts Correlations among Amino Acids in SARS-CoV-2 Proteomes

Biomedicines, 2023-02, Vol.11 (2), p.512

2023

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Identifying potential monkeypox virus inhibitors: an in silico study targeting the A42R protein

Frontiers in cellular and infection microbiology, 2024-03, Vol.14, p.1351737-1351737

2024

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In Silico Discovery of Potential Inhibitors Targeting the RNA Binding Loop of ADAR2 and 5-HT2CR from Traditional Chinese Natural Compounds

International journal of molecular sciences, 2023-08, Vol.24 (16), p.12612

2023

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Design of Inhibitors That Target the Menin-Mixed-Lineage Leukemia Interaction

Computation, 2024-01, Vol.12 (1), p.3

2024

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Inhibiting Leishmania donovani Sterol Methyltransferase to Identify Lead Compounds Using Molecular Modelling

Pharmaceuticals (Basel, Switzerland), 2023-02, Vol.16 (3), p.330

2023

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Molecular Docking Simulation Studies Identifies Potential Natural Product Derived-Antiwolbachial Compounds as Filaricides against Onchocerciasis

Biomedicines, 2021-11, Vol.9 (11), p.1682

2021

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Prediction of antischistosomal small molecules using machine learning in the era of big data

Molecular diversity, 2022-06, Vol.26 (3), p.1597-1607

2022

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Outwitting an Old Neglected Nemesis: A Review on Leveraging Integrated Data-Driven Approaches to Aid in Unraveling of Leishmanicides of Therapeutic Potential

Current topics in medicinal chemistry, 2020-01, Vol.20 (5), p.349-366

2020

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A Molecular Modeling Approach to Identify Potential Antileishmanial Compounds Against the Cell Division Cycle (cdc)-2-Related Kinase 12 (CRK12) Receptor of Leishmania donovani

Biomolecules (Basel, Switzerland), 2021-03, Vol.11 (3), p.458

2021

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Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors

Molecular diversity, 2022-08, Vol.26 (4), p.2231-2242

2022

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Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds

Computers in biology and medicine, 2020-07, Vol.122, p.103811-103811, Article 103811

2020

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Molecular Informatics Studies of the Iron-Dependent Regulator (ideR) Reveal Potential Novel Anti- Mycobacterium ulcerans Natural Product-Derived Compounds

Molecules (Basel, Switzerland), 2019-06, Vol.24 (12), p.2299

2019

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Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase

Frontiers in cellular and infection microbiology, 2022-06, Vol.12, p.859981-859981

2022

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Structure-Based Discovery of Potential HPV E6 and EBNA1 Inhibitors: Implications for Cervical Cancer Treatment

Computation, 2024-06, Vol.12 (6), p.112

2024

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Antimalarials: Review of Plasmepsins as Drug Targets and HIV Protease Inhibitors Interactions

Current topics in medicinal chemistry, 2018-01, Vol.18 (23), p.2022-2028

2018

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Review of Atypical Organometallic Compounds as Antimalarial Drugs

Journal of chemistry, 2020, Vol.2020 (2020), p.1-9

2020

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Computer-aided identification of potential inhibitors against Necator americanus glutathione S-transferase 3

Informatics in medicine unlocked, 2022, Vol.30, p.100957, Article 100957

2022

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Bioprospecting of potential inhibitors of 5alpha reductase 2 inhibitors from relevant ethno-pharmacological plants via in silico techniques

Scientific African, 2024-09, Vol.25, p.e02264, Article e02264

2024

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Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products

Informatics in medicine unlocked, 2021, Vol.26, p.100734, Article 100734

2021

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The Search for Putative Hits in Combating Leishmaniasis: The Contributions of Natural Products Over the Last Decade

Natural products and bioprospecting, 2021-10, Vol.11 (5), p.489-544

2021

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Molecular Docking and Dynamics Simulation Studies Predict Potential Anti-ADAR2 Inhibitors: Implications for the Treatment of Cancer, Neurological, Immunological and Infectious Diseases

ADAR Family Proteins: A Structural Review

Cheminformatics-Based Study Identifies Potential Ebola VP40 Inhibitors

In Silico Screening of Isocitrate Lyase for Novel Anti-Buruli Ulcer Natural Products Originating from Africa

Pharmacoinformatics-based identification of potential bioactive compounds against Ebola virus protein VP24

Computational Analysis Predicts Correlations among Amino Acids in SARS-CoV-2 Proteomes

Identifying potential monkeypox virus inhibitors: an in silico study targeting the A42R protein

In Silico Discovery of Potential Inhibitors Targeting the RNA Binding Loop of ADAR2 and 5-HT2CR from Traditional Chinese Natural Compounds

Design of Inhibitors That Target the Menin-Mixed-Lineage Leukemia Interaction

Inhibiting Leishmania donovani Sterol Methyltransferase to Identify Lead Compounds Using Molecular Modelling

Molecular Docking Simulation Studies Identifies Potential Natural Product Derived-Antiwolbachial Compounds as Filaricides against Onchocerciasis

Prediction of antischistosomal small molecules using machine learning in the era of big data

Outwitting an Old Neglected Nemesis: A Review on Leveraging Integrated Data-Driven Approaches to Aid in Unraveling of Leishmanicides of Therapeutic Potential

A Molecular Modeling Approach to Identify Potential Antileishmanial Compounds Against the Cell Division Cycle (cdc)-2-Related Kinase 12 (CRK12) Receptor of Leishmania donovani

Development of a proteochemometric-based support vector machine model for predicting bioactive molecules of tubulin receptors

Molecular docking and dynamics simulations studies of OmpATb identifies four potential novel natural product-derived anti-Mycobacterium tuberculosis compounds

Molecular Informatics Studies of the Iron-Dependent Regulator (ideR) Reveal Potential Novel Anti- Mycobacterium ulcerans Natural Product-Derived Compounds

Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential Inhibitors of Leishmania donovani 24-Sterol Methyltransferase

Structure-Based Discovery of Potential HPV E6 and EBNA1 Inhibitors: Implications for Cervical Cancer Treatment

Antimalarials: Review of Plasmepsins as Drug Targets and HIV Protease Inhibitors Interactions

Review of Atypical Organometallic Compounds as Antimalarial Drugs

Computer-aided identification of potential inhibitors against Necator americanus glutathione S-transferase 3

Bioprospecting of potential inhibitors of 5alpha reductase 2 inhibitors from relevant ethno-pharmacological plants via in silico techniques

Molecular modelling and de novo fragment-based design of potential inhibitors of beta-tubulin gene of Necator americanus from natural products

The Search for Putative Hits in Combating Leishmaniasis: The Contributions of Natural Products Over the Last Decade

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