D. K. Yadav

发表

Computational analysis of PTP-1B site-directed mutations and their structural binding to potential inhibitors.

I. Ansari, A. Shoaib, A. Sulieman, 2022, Cellular and molecular biology.

Carvacrol instigates intrinsic and extrinsic apoptosis with abrogation of cell cycle progression in cervical cancer cells: Inhibition of Hedgehog/GLI signaling cascade

I. Ansari, Mohd Saeed, Ihn Han, 2023, Frontiers in Chemistry.

Assessing the Protein-Ligand Interaction and Thermally Induced Quality Changes in Tomato-Based Pineapple Beverage

D. Mahato, Vasudha Bansal, Nitya Sharma, 2023, Beverages.

Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence

S. Kim, Kwang-Hoon Chun, Mi-hyun Kim, 2017, Scientific Reports.

Clinical updates on tyrosine kinase inhibitors in HER2-positive breast cancer

D. Singh, Hae-Jeung Lee, D. K. Yadav, 2022, Frontiers in Pharmacology.

Comparative analysis of web-based programs for single amino acid substitutions in proteins

Visweswara Rao Pasupuleti, M. I. Hassan, I. K. Singh, 2022, PloS one.

A Clinical Update on SARS-CoV-2: Pathology and Development of Potential Inhibitors

D. Singh, Ihn Han, E. Choi, 2023, Current issues in molecular biology.

Recent Clinical Advances on Long Non-Coding RNAs in Triple-Negative Breast Cancer

D. Singh, Hae-Jeung Lee, D. K. Yadav, 2023, Cells.

RAGE Inhibitors for Targeted Therapy of Cancer: A Comprehensive Review

Y. Akhter, Mohd Saeed, Ihn Han, 2022, International journal of molecular sciences.

Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species

Mi-hyun Kim, S. Chaudhary, D. Yadav, 2019, Scientific Reports.

Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy

M. Shahwan, Anas Shamsi, Taj Mohammad, 2022, Journal of biomolecular structure & dynamics.

Clinical Significance of MicroRNAs, Long Non-Coding RNAs, and CircRNAs in Cardiovascular Diseases

D. Singh, Ihn Han, S. Choi, 2023, Cells.

Artemisinin-Inspired Novel Functionalized Aryloxy-Arylvinyl-1,2,4-trioxanes as Potent Anticancer Agents: Design, Synthesis, Bioevaluation, SAR and in silico Studies

Richa Sharma, S. Chaudhary, V. Wong, 2023, Journal of Molecular Structure.

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking

Saloni, S. Misra, Mi-hyun Kim, 2017, Archives of Pharmacal Research.

Structure-based identification of potential inhibitors of ribosomal protein S6 kinase 1, targeting cancer therapy: a combined docking and molecular dynamics simulations approach

A. Nadeem, Taj Mohammad, Md Nayab Sulaimani, 2023, Journal of biomolecular structure & dynamics.

Comprehensive insight into the molecular interaction of rutin with human transferrin: Implication of natural compounds in neurodegenerative diseases.

R. H. Khan, Anas Shamsi, M. Khan, 2023, International journal of biological macromolecules.

Investigating molecular interactions between human transferrin and resveratrol through a unified experimental and computational approach: Role of natural compounds in Alzheimer’s disease therapeutics

Saleha Anwar, Dr Mohammad Furkan, D. K. Yadav, 2023, Amino acids.

Identifying repurposed drugs as potential inhibitors of Apolipoprotein E: A bioinformatics approach to target complex diseases associated with lipid metabolism and neurodegeneration.

Saleha Anwar, Nageeb Hassan, Dr Mohammad Furkan, 2024, International journal of biological macromolecules.

An integrated docking and molecular dynamics simulation approach to discover potential inhibitors of activin receptor-like kinase 1.

M. Alajmi, Taj Mohammad, D. Jairajpuri, 2023, Journal of molecular recognition : JMR.

Identifying potential inhibitors of phosphatidylinositol 4,5-bisphosphate 3-kinase: Molecular dynamic insights into the interaction and inhibitory mechanism

M. Alajmi, Taj Mohammad, M. Hassan, 2024, Chemical Physics Impact.

Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies.

N. Jain, D. Yadav, S. Misra, 2017, European journal of medicinal chemistry.

Identification of mitogen‐activated protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

Talha Jawaid, Hassan H. Alhassan, D. K. Yadav, 2023, Journal of molecular recognition : JMR.

Computational and spectroscopic insight into the binding of citral with human transferrin: Targeting neurodegenerative diseases

Dr Mohammad Furkan, D. K. Yadav, Anas Shamsi, 2024, Heliyon.

Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin: Implications of Natural Compounds in Targeting Neuroinflammation

Saleha Anwar, D. K. Yadav, Anas Shamsi, 2023, ACS omega.

Structure-based drug-development study against fibroblast growth factor receptor 2: molecular docking and Molecular dynamics simulation approaches

Dr Mohammad Furkan, D. K. Yadav, Anas Shamsi, 2024, Scientific reports.

Systematic computational strategies for identifying protein targets and lead discovery.

Arti Kataria, D. K. Yadav, Shafiul Haque, 2024, RSC medicinal chemistry.

Structure-based screening of FDA-approved drugs identifies potential histone deacetylase 3 repurposed inhibitor: molecular docking and molecular dynamic simulation approaches

D. K. Yadav, Anas Shamsi, Moyad Shahwan, 2024, Frontiers in pharmacology.

Understanding the interactions between repurposed drugs sertindole and temoporfin with receptor for advanced glycation endproducts: Therapeutic implications in cancer and metabolic diseases.

Saleha Anwar, D. K. Yadav, Anas Shamsi, 2024, Journal of molecular modeling.

Targeting PDE4A for therapeutic potential: exploiting drug repurposing approach through virtual screening and molecular dynamics.

Nageeb Hassan, N. Altwaijry, D. K. Yadav, 2024, Journal of biomolecular structure & dynamics.

Identifying Phosphodiesterase‐5 Inhibitors with Drug Repurposing Approach: Implications in Vasodysfunctional Disorders

Saleha Anwar, D. K. Yadav, Anas Shamsi, 2023, ChemistryOpen.

Identification of high-affinity Monoamine oxidase B inhibitors for depression and Parkinson’s disease treatment: bioinformatic approach of drug repurposing

N. Altwaijry, D. K. Yadav, Anas Shamsi, 2024, Frontiers in pharmacology.