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Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer

Current computer-aided drug design, 2023-01, Vol.19 (4), p.243-257

2023

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Unveiling novel therapeutic avenues: Targeting the cyclin D/CDK4 axis for enhanced cancer treatment

Medical hypotheses, 2024-04, Vol.185, p.111313, Article 111313

2024

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Molecular Docking and Simulation Studies of Flavanone and its Derived Compounds on PI3K-AKT Pathway Targeting against Cancer

Current drug discovery technologies, 2023, Vol.20 (1), p.e260522205302

2023

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4-Methylesculetin ameliorates LPS-induced depression-like behavior through the inhibition of NLRP3 inflammasome

Frontiers in pharmacology, 2023-02, Vol.14, p.1120508-1120508

2023

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Carbohydrate-Binding Agents: Potential of Repurposing for COVID-19 Therapy

Current protein & peptide science, 2020-01, Vol.21 (11), p.1085-1096

2020

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Elucidating B4GALNT1 as potential biomarker in hepatocellular carcinoma using machine learning models and mutational dynamics explored through MD simulation

Informatics in medicine unlocked, 2024, Vol.48, p.101514, Article 101514

2024

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Isolation, purification and biochemical characterization of a thermophilic alkaline protease from hot water spring bacteria

Research Journal of Biotechnology, 2022-07, Vol.17 (7), p.118-129

2022

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An Intracellular Tripeptide Arg-His-Trp of Serum Origin Detected in MCF-7 Cells is a Possible Agonist to β2 Adrenoceptor

Protein and peptide letters, 2021, Vol.28 (10), p.1191-1202

2021

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Evaluation of immune evasion in SARS-CoV-2 Delta and Omicron variants

Computational and structural biotechnology journal, 2022-01, Vol.20, p.4501-4516

2022

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Free Fatty Acids from Cow Urine DMSO Fraction Induce Cell Death in Breast Cancer Cells without Affecting Normal GMSCs

Biomedicines, 2023-03, Vol.11 (3), p.889

2023

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Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Current computer-aided drug design, 2018-01, Vol.14 (3), p.246-252

2018

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In silico discovery of potent inhibitors against monkeypox's major structural proteins

Journal of biomolecular structure & dynamics, 2023, Vol.41 (23), p.14259-14274

2023

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Breaking the 'undruggable' barrier: Revealing molecular mechanisms in Aurora Kinase A/Myc protein interplay targeting cancers

Medical hypotheses, 2024-04, Vol.185, p.111320, Article 111320

2024

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Molecular docking and simulation studies on SARS-CoV-2 M pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19

Journal of biomolecular structure & dynamics, 2021-12, Vol.39 (18), p.1-7305

2021

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Molecular Docking and Molecular Dynamics Simulation studies of DHFR inhibitors in Plasmodium falciparum

Canadian Journal of Biotechnology, 2017-10, Vol.1 (Special Issue), p.23-23

2017

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Molecular Docking and Molecular Dynamic studies of Phytocompounds with HIF-1 alpha, HIF-2 alpha, and SREBP1c to Explore its Inhibitory Effect on Metabolic disorders and in Cancer

Canadian Journal of Biotechnology, 2017-10, Vol.1 (Special Issue), p.25-25

2017

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An in silico scientific basis for LL‐37 as a therapeutic for Covid‐19

Proteins, structure, function, and bioinformatics, 2022-05, Vol.90 (5), p.1029-1043

2022

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Molecular interaction studies of Deguelin and its derivatives with Cyclin D1 and Cyclin E in cancer cell signaling pathway: The computational approach

Scientific reports, 2019-02, Vol.9 (1), p.1778-1778, Article 1778

2019

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Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation

Molecular diversity, 2022-08, Vol.26 (4), p.2295-2309

2022

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Pharmacoinformatics approach for the screening of Kovidra (Bauhinia variegata) phytoconstituents against tumor suppressor protein in triple negative breast cancer

Journal of biomolecular structure & dynamics, 2024-05, Vol.42 (8), p.4263-4282

2024

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High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Acinetobacter baumannii: anti-virulent drug development campaign

Journal of biomolecular structure & dynamics, 2023-05, Vol.41 (7), p.2698-2712

2023

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GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 M pro

Computers in biology and medicine, 2022-08, Vol.147, p.105679

2022

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Exploring the role of TLK2 mutation in tropical calcific pancreatitis: an in silico and molecular dynamics simulation study

Journal of biomolecular structure & dynamics, 2024-03, p.1-20

2024

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Immunoinformatics-based multi-epitope containing fused polypeptide vaccine design against visceral leishmaniasis with high immunogenicity and TLR binding

International journal of biological macromolecules, 2023-12, Vol.253, p.127567-127567, Article 127567

2023

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Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach

Journal of biomolecular structure & dynamics, 2023-11, Vol.41 (17), p.8571-8586

2023

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Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer

Unveiling novel therapeutic avenues: Targeting the cyclin D/CDK4 axis for enhanced cancer treatment

Molecular Docking and Simulation Studies of Flavanone and its Derived Compounds on PI3K-AKT Pathway Targeting against Cancer

4-Methylesculetin ameliorates LPS-induced depression-like behavior through the inhibition of NLRP3 inflammasome

Carbohydrate-Binding Agents: Potential of Repurposing for COVID-19 Therapy

Elucidating B4GALNT1 as potential biomarker in hepatocellular carcinoma using machine learning models and mutational dynamics explored through MD simulation

Isolation, purification and biochemical characterization of a thermophilic alkaline protease from hot water spring bacteria

An Intracellular Tripeptide Arg-His-Trp of Serum Origin Detected in MCF-7 Cells is a Possible Agonist to β2 Adrenoceptor

Evaluation of immune evasion in SARS-CoV-2 Delta and Omicron variants

Free Fatty Acids from Cow Urine DMSO Fraction Induce Cell Death in Breast Cancer Cells without Affecting Normal GMSCs

Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

In silico discovery of potent inhibitors against monkeypox's major structural proteins

Breaking the 'undruggable' barrier: Revealing molecular mechanisms in Aurora Kinase A/Myc protein interplay targeting cancers

Molecular docking and simulation studies on SARS-CoV-2 M pro reveals Mitoxantrone, Leucovorin, Birinapant, and Dynasore as potent drugs against COVID-19

Molecular Docking and Molecular Dynamics Simulation studies of DHFR inhibitors in Plasmodium falciparum

Molecular Docking and Molecular Dynamic studies of Phytocompounds with HIF-1 alpha, HIF-2 alpha, and SREBP1c to Explore its Inhibitory Effect on Metabolic disorders and in Cancer

An in silico scientific basis for LL‐37 as a therapeutic for Covid‐19

Molecular interaction studies of Deguelin and its derivatives with Cyclin D1 and Cyclin E in cancer cell signaling pathway: The computational approach

Novel B, C-ring truncated deguelin derivatives reveals as potential inhibitors of cyclin D1 and cyclin E using molecular docking and molecular dynamic simulation

Pharmacoinformatics approach for the screening of Kovidra (Bauhinia variegata) phytoconstituents against tumor suppressor protein in triple negative breast cancer

High throughput virtual screening and molecular dynamics simulation analysis of phytomolecules against BfmR of Acinetobacter baumannii: anti-virulent drug development campaign

GC-MS profiling of Bauhinia variegata major phytoconstituents with computational identification of potential lead inhibitors of SARS-CoV-2 M pro

Exploring the role of TLK2 mutation in tropical calcific pancreatitis: an in silico and molecular dynamics simulation study

Immunoinformatics-based multi-epitope containing fused polypeptide vaccine design against visceral leishmaniasis with high immunogenicity and TLR binding

Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) by resveratrol derivatives in cancer therapy: in silico approach

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