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Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1424175
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- Article
Understanding the interactions between repurposed drugs sertindole and temoporfin with receptor for advanced glycation endproducts: Therapeutic implications in cancer and metabolic diseases.
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- Journal of Molecular Modeling, 2024, v. 30, n. 6, p. 1, doi. 10.1007/s00894-024-05967-4
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- Article
Comprehensive spectroscopic and computational insight into the binding of vanillin with human transferrin: targeting neuroinflammation in Alzheimer's disease therapeutics.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1397332
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- Article
Identifying Phosphodiesterase‐5 Inhibitors with Drug Repurposing Approach: Implications in Vasodysfunctional Disorders.
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- ChemistryOpen, 2024, v. 13, n. 5, p. 1, doi. 10.1002/open.202300196
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- Article
Phytocompounds targeting epigenetic modulations: an assessment in cancer.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2023.1273993
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- Article
Elucidating the Impact of Deleterious Mutations on IGHG1 and Their Association with Huntington's Disease.
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- Journal of Personalized Medicine, 2024, v. 14, n. 4, p. 380, doi. 10.3390/jpm14040380
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- Article
Implication of Caffeic Acid for the Prevention and Treatment of Alzheimer's Disease: Understanding the Binding with Human Transferrin Using In Silico and In Vitro Approaches.
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- Molecular Neurobiology, 2024, v. 61, n. 4, p. 2176, doi. 10.1007/s12035-023-03696-y
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- Article
Evaluation of binding mechanism of dietary phytochemical, capsaicin, with human transferrin: targeting neurodegenerative diseases therapeutics.
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- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1348128
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- Article
The neuroprotective potential of phytochemicals in traumatic brain injury: mechanistic insights and pharmacological implications.
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- Frontiers in Pharmacology, 2024, p. 01, doi. 10.3389/fphar.2023.1330098
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- Article
Identification of mitogen‐activated protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies.
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- Journal of Molecular Recognition, 2024, v. 37, n. 1, p. 1, doi. 10.1002/jmr.3067
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- Article
Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations.
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- PLoS ONE, 2023, v. 18, n. 12, p. 1, doi. 10.1371/journal.pone.0293185
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- Article
Investigating molecular interactions between human transferrin and resveratrol through a unified experimental and computational approach: Role of natural compounds in Alzheimer's disease therapeutics.
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- Amino Acids, 2023, v. 55, n. 12, p. 1923, doi. 10.1007/s00726-023-03355-5
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- Article
Unlocking potential inhibitors for Bruton's tyrosine kinase through in-silico drug repurposing strategies.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44956-0
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- Article
Mechanistic insights into MARK4 inhibition by galantamine toward therapeutic targeting of Alzheimer’s disease.
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- Frontiers in Pharmacology, 2023, p. 1, doi. 10.3389/fphar.2023.1276179
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- Article
Comprehensive Insights into Biological Roles of Rosmarinic Acid: Implications in Diabetes, Cancer and Neurodegenerative Diseases.
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- Nutrients, 2023, v. 15, n. 19, p. 4297, doi. 10.3390/nu15194297
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- Article
Investigating the Effect of Cigarette Smoking on Serum Uric Acid Levels in Multiple Sclerosis Patients: A Cross Sectional Study.
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- Brain Sciences (2076-3425), 2023, v. 13, n. 5, p. 800, doi. 10.3390/brainsci13050800
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- Article
Insight into the Biological Roles and Mechanisms of Phytochemicals in Different Types of Cancer: Targeting Cancer Therapeutics.
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- Nutrients, 2023, v. 15, n. 7, p. 1704, doi. 10.3390/nu15071704
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- Article
Unlocking potential inhibitors for Bruton's tyrosine kinase through in-silico drug repurposing strategies.
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- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-44956-0
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- Article
Correction: Ashraf et al. Inhibition of Microtubule Affinity Regulating Kinase 4 by Metformin: Exploring the Neuroprotective Potential of Antidiabetic Drug through Spectroscopic and Computational Approaches. Molecules 2022, 27 , 4652.
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- 2023
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- Correction Notice
Characterization of advanced glycation end products and aggregates of irisin: Multispectroscopic and microscopic approaches.
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- Journal of Cellular Biochemistry, 2023, v. 124, n. 1, p. 156, doi. 10.1002/jcb.30353
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- Article
Elucidating the Role of Santalol as a Potent Inhibitor of Tyrosinase: In Vitro and In Silico Approaches.
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- Molecules, 2022, v. 27, n. 24, p. 8915, doi. 10.3390/molecules27248915
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- Article
Structure-Guided Approach to Discover Tuberosin as a Potent Activator of Pyruvate Kinase M2, Targeting Cancer Therapy.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 21, p. 13172, doi. 10.3390/ijms232113172
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- Article
Identification of 11-Hydroxytephrosin and Torosaflavone A as Potential Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase 1 (PDPK1): Toward Anticancer Drug Discovery.
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- Biology (2079-7737), 2022, v. 11, n. 8, p. N.PAG, doi. 10.3390/biology11081230
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- Article
Mechanistic Insight into the Enzymatic Inhibition of β-Amyrin against Mycobacterial Rv1636: In Silico and In Vitro Approaches.
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- Biology (2079-7737), 2022, v. 11, n. 8, p. N.PAG, doi. 10.3390/biology11081214
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- Article
Investigating binding mechanism of thymoquinone to human transferrin, targeting Alzheimer's disease therapy.
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- Journal of Cellular Biochemistry, 2022, v. 123, n. 8, p. 1381, doi. 10.1002/jcb.30299
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- Article
Inhibition of Microtubule Affinity Regulating Kinase 4 by Metformin: Exploring the Neuroprotective Potential of Antidiabetic Drug through Spectroscopic and Computational Approaches.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144652
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- Article
Unraveling the Binding Mechanism of Alzheimer's Drugs with Irisin: Spectroscopic, Calorimetric, and Computational Approaches.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 11, p. 5965, doi. 10.3390/ijms23115965
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- Article
Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics.
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- Molecules, 2022, v. 27, n. 10, p. 3060, doi. 10.3390/molecules27103060
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- Article
Bax/Bcl-2 Cascade Is Regulated by the EGFR Pathway: Therapeutic Targeting of Non-Small Cell Lung Cancer.
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- Frontiers in Oncology, 2022, v. 12, p. 1, doi. 10.3389/fonc.2022.869672
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- Article
Effect of pH on the structure and function of cyclin-dependent kinase 6.
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- PLoS ONE, 2022, v. 17, n. 2, p. 1, doi. 10.1371/journal.pone.0263693
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- Article
Myricetin inhibits breast and lung cancer cells proliferation via inhibiting MARK4.
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- Journal of Cellular Biochemistry, 2022, v. 123, n. 2, p. 359, doi. 10.1002/jcb.30176
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- Article
Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches.
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- Molecules, 2022, v. 27, n. 3, p. 797, doi. 10.3390/molecules27030797
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- Article
FNDC5/Irisin: Physiology and Pathophysiology.
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- Molecules, 2022, v. 27, n. 3, p. 1118, doi. 10.3390/molecules27031118
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- Article
MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer's Disease.
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- International Journal of Molecular Sciences, 2021, v. 22, n. 20, p. 10986, doi. 10.3390/ijms222010986
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- Article
Structure‐based investigation of MARK4 inhibitory potential of Naringenin for therapeutic management of cancer and neurodegenerative diseases.
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- Journal of Cellular Biochemistry, 2021, v. 122, n. 10, p. 1445, doi. 10.1002/jcb.30022
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- Article
Aurora B kinase: a potential drug target for cancer therapy.
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- Journal of Cancer Research & Clinical Oncology, 2021, v. 147, n. 8, p. 2187, doi. 10.1007/s00432-021-03669-5
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- Article
Targeting cyclin‐dependent kinase 6 by vanillin inhibits proliferation of breast and lung cancer cells: Combined computational and biochemical studies.
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- Journal of Cellular Biochemistry, 2021, v. 122, n. 8, p. 897, doi. 10.1002/jcb.29921
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- Article
Trehalose Restrains the Fibril Load towards α-Lactalbumin Aggregation and Halts Fibrillation in a Concentration-Dependent Manner.
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- Biomolecules (2218-273X), 2021, v. 11, n. 3, p. 414, doi. 10.3390/biom11030414
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- Article
Evaluation of Binding of Rosmarinic Acid with Human Transferrin and Its Impact on the Protein Structure: Targeting Polyphenolic Acid-Induced Protection of Neurodegenerative Disorders.
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- Oxidative Medicine & Cellular Longevity, 2020, p. 1, doi. 10.1155/2020/1245875
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- Article
Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-65648-z
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- Article
Glecaprevir and Maraviroc are high-affinity inhibitors of SARS-CoV-2 main protease: possible implication in COVID-19 therapy.
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- Bioscience Reports, 2020, v. 40, n. 6, p. 1, doi. 10.1042/BSR20201256
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- Article
Ellagic Acid Controls Cell Proliferation and Induces Apoptosis in Breast Cancer Cells via Inhibition of Cyclin-Dependent Kinase 6.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 10, p. 3526, doi. 10.3390/ijms21103526
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- Article
Discovery of Hordenine as a Potential Inhibitor of Pyruvate Dehydrogenase Kinase 3: Implication in Lung Cancer Therapy.
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- Biomedicines, 2020, v. 8, n. 5, p. 119, doi. 10.3390/biomedicines8050119
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- Article
MARK4 Inhibited by AChE Inhibitors, Donepezil and Rivastigmine Tartrate: Insights into Alzheimer's Disease Therapy.
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- Biomolecules (2218-273X), 2020, v. 10, n. 5, p. 789, doi. 10.3390/biom10050789
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- Article
Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies.
- Published in:
- Molecules, 2020, v. 25, n. 4, p. 823, doi. 10.3390/molecules25040823
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- Article
Unraveling Binding Mechanism of Alzheimer's Drug Rivastigmine Tartrate with Human Transferrin: Molecular Docking and Multi-Spectroscopic Approach towards Neurodegenerative Diseases.
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- Biomolecules (2218-273X), 2019, v. 9, n. 9, p. 495, doi. 10.3390/biom9090495
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- Article
Investigating the interaction of anticancer drug temsirolimus with human transferrin: Molecular docking and spectroscopic approach.
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- Journal of Molecular Recognition, 2018, v. 31, n. 10, p. 1, doi. 10.1002/jmr.2728
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- Article
Global transition of human serum albumin to prefibrillar aggregates induced by temsirolimus: Insight into implications of anti‐renal cancer drug.
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- Journal of Molecular Recognition, 2018, v. 31, n. 4, p. 1, doi. 10.1002/jmr.2688
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- Article
Aggregation as a consequence of glycation: insight into the pathogenesis of arthritis.
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- European Biophysics Journal, 2016, v. 45, n. 6, p. 523, doi. 10.1007/s00249-016-1119-0
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- Article
Purification and biochemical characterization of phytocystatin from Brassica alba.
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- Journal of Molecular Recognition, 2016, v. 29, n. 5, p. 223, doi. 10.1002/jmr.2522
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- Article