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Imidazole and Biphenyl Derivatives as Anti-cancer Agents for Glioma Therapeutics: Computational Drug Repurposing Strategy

Anti-cancer agents in medicinal chemistry, 2023-01, Vol.23 (9), p.1085

2023

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Exploration of potential inhibitors for tuberculosis via structure‐based drug design, molecular docking, and molecular dynamics simulation studies

Journal of computational chemistry, 2021-09, Vol.42 (24), p.1736-1749

2021

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Exploration of natural product database for the identification of potent inhibitor against IDH2 mutational variants for glioma therapy

Journal of molecular modeling, 2023-01, Vol.29 (1), p.6, Article 6

2023

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Bioherbicides for sustainable barnyard grass management in paddy field: an in-silico perspective

Natural product research, 2023-11, Vol.37 (22), p.3857-3861

2023

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Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations

Journal of computational chemistry, 2022-04, Vol.43 (9), p.619-630

2022

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Mining of soil data for predicting the paddy productivity by machine learning techniques

Paddy and water environment, 2023-04, Vol.21 (2), p.231-242

2023

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Exploring the potential of nutraceutical to combat gliomas: focus on mIDH2 protein

Frontiers in physics, 2024-02, Vol.12

2024

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Searching of Novel Herbicides for Paddy Field Weed Management—A Case Study with Acetyl-CoA Carboxylase

Agronomy (Basel), 2022-07, Vol.12 (7), p.1635

2022

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In-silico bioprospecting of secondary metabolites from endophytic Streptomyces spp. against Magnaporthe oryzae, a cereal killer fungus

3 Biotech, 2024, Vol.14 (1), p.15-15, Article 15

2024

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In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

Pharmaceutics, 2021-12, Vol.14 (1), p.59

2021

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Design and In Silico Validation of a Novel MZF-1-Based Multi-Epitope Vaccine to Combat Metastatic Triple Negative Breast Cancer

Vaccines (Basel), 2023-03, Vol.11 (3), p.577

2023

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Targeting the Autophagy Specific Lipid Kinase VPS34 for Cancer Treatment: An Integrative Repurposing Strategy

The Protein Journal, 2021-02, Vol.40 (1), p.41-53

2021

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Quinolones and Fluoroquinolones to Treat Salmonella Typhimurium: A Review of Metabolism and Pharmacokinetics

Current drug metabolism, 2017-12, Vol.18 (12), p.1085

2017

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In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis

Chemistry & biodiversity, 2023-01, Vol.20 (1), p.e202200925-n/a

2023

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Discovery of anaplastic lymphoma kinase inhibitors from natural product library: A holistic in silico approach

Biotechnology and applied biochemistry, 2021-12, Vol.68 (6), p.1185-1191, Article bab.2040

2021

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In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents

Frontiers in chemistry, 2022-09, Vol.10, p.991369-991369

2022

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An Integrative Drug Repurposing Pipeline: Switching Viral Drugs to Breast Cancer

Journal of cellular biochemistry, 2017-06, Vol.118 (6), p.1412-1422

2017

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Exploring safe and potent bioactives for the treatment of non-small cell lung cancer

3 Biotech, 2021-05, Vol.11 (5), p.241-241, Article 241

2021

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Fragment-based virtual screening discovers potential new Plasmodium PI4KIIIβ ligands

BMC chemistry, 2022-03, Vol.16 (1), p.19-19, Article 19

2022

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Potential dual inhibitors of Hexokinases and mitochondrial complex I discovered through machine learning approach

Scientific African, 2024-06, Vol.24, p.e02226, Article e02226

2024

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Discovery of human autophagy initiation kinase ULK1 inhibitors by multi-directional in silico screening strategies

Journal of receptors and signal transduction, 2019-03, Vol.39 (2), p.122-133

2019

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An integrated machine learning-based virtual screening strategy for biological weeding in maize field: a case study with HPPD

Journal of plant diseases and protection (2006), 2023-12, Vol.130 (6), p.1433-1449

2023

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Drug repurposing combined with MM/PBSA based validation strategies towards MEK inhibitors screening

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (22), p.12392-12403

2022

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Forecasting determinants of recurrence in lung cancer patients exploiting various machine learning models

Journal of biopharmaceutical statistics, 2023-05, Vol.33 (3), p.257-271

2023

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Sequential virtual screening collaborated with machine-learning strategies for the discovery of precise medicine against non-small cell lung cancer

Journal of biomolecular structure & dynamics, 2024-01, Vol.42 (2), p.615-628

2024

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Imidazole and Biphenyl Derivatives as Anti-cancer Agents for Glioma Therapeutics: Computational Drug Repurposing Strategy

Exploration of potential inhibitors for tuberculosis via structure‐based drug design, molecular docking, and molecular dynamics simulation studies

Exploration of natural product database for the identification of potent inhibitor against IDH2 mutational variants for glioma therapy

Bioherbicides for sustainable barnyard grass management in paddy field: an in-silico perspective

Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations

Mining of soil data for predicting the paddy productivity by machine learning techniques

Exploring the potential of nutraceutical to combat gliomas: focus on mIDH2 protein

Searching of Novel Herbicides for Paddy Field Weed Management—A Case Study with Acetyl-CoA Carboxylase

In-silico bioprospecting of secondary metabolites from endophytic Streptomyces spp. against Magnaporthe oryzae, a cereal killer fungus

In Silico Screening of Available Drugs Targeting Non-Small Cell Lung Cancer Targets: A Drug Repurposing Approach

Design and In Silico Validation of a Novel MZF-1-Based Multi-Epitope Vaccine to Combat Metastatic Triple Negative Breast Cancer

Targeting the Autophagy Specific Lipid Kinase VPS34 for Cancer Treatment: An Integrative Repurposing Strategy

Quinolones and Fluoroquinolones to Treat Salmonella Typhimurium: A Review of Metabolism and Pharmacokinetics

In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis

Discovery of anaplastic lymphoma kinase inhibitors from natural product library: A holistic in silico approach

In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents

An Integrative Drug Repurposing Pipeline: Switching Viral Drugs to Breast Cancer

Exploring safe and potent bioactives for the treatment of non-small cell lung cancer

Fragment-based virtual screening discovers potential new Plasmodium PI4KIIIβ ligands

Potential dual inhibitors of Hexokinases and mitochondrial complex I discovered through machine learning approach

Discovery of human autophagy initiation kinase ULK1 inhibitors by multi-directional in silico screening strategies

An integrated machine learning-based virtual screening strategy for biological weeding in maize field: a case study with HPPD

Drug repurposing combined with MM/PBSA based validation strategies towards MEK inhibitors screening

Forecasting determinants of recurrence in lung cancer patients exploiting various machine learning models

Sequential virtual screening collaborated with machine-learning strategies for the discovery of precise medicine against non-small cell lung cancer

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