All Stories

  1. Experimental and Computational Insights into the Molecular Interactions between Human Transferrin and Apigenin: Implications of Natural Compounds in Targeting Neuroinflammation
  2. Artemisinin-inspired novel functionalized aryloxy-arylvinyl-1,2,4-trioxanes as potent anticancer agents: Design, synthesis, bioevaluation, SAR and in silico studies
  3. Clinical Significance of MicroRNAs, Long Non-Coding RNAs, and CircRNAs in Cardiovascular Diseases
  4. Recent Clinical Advances on Long Non-Coding RNAs in Triple-Negative Breast Cancer
  5. Assessing the Protein-Ligand Interaction and Thermally Induced Quality Changes in Tomato-Based Pineapple Beverage
  6. RAGE Inhibitors for Targeted Therapy of Cancer: A Comprehensive Review
  7. Clinical updates on tyrosine kinase inhibitors in HER2-positive breast cancer
  8. Integrated virtual screening and MD simulation study to discover potential inhibitors of Lyn-kinase: targeting cancer therapy
  9. Development of Dementia in Type 2 Diabetes Patients: Mechanisms of Insulin Resistance and Antidiabetic Drug Development
  10. Review of Developments in Combating COVID-19 by Vaccines, Inhibitors, Radiations, and Nonthermal Plasma
  11. Frankincense oil-loaded nanoemulsion formulation of paclitaxel and erucin: A synergistic combination for ameliorating drug resistance in breast cancer: In vitro and in vivo study
  12. Biomedical and Antioxidant Potentialities in Chilli: Perspectives and Way Forward
  13. In vitro elucidation of antioxidant, antiproliferative, and apoptotic potential of yeast-derived β-1,3-glucan particles against cervical cancer cells
  14. Identification of PARP12 Inhibitors By Virtual Screening and Molecular Dynamics Simulations
  15. Therapeutic implications and clinical manifestations of thymoquinone
  16. Computational analysis of PTP-1B site-directed mutations and their structural binding to potential inhibitors
  17. In Vitro Evaluation of Antioxidant, Anticancer, and Anti-Inflammatory Activities of Ethanolic Leaf Extract of Adenium obesum
  18. Discovering Tuberosin and Villosol as Potent and Selective Inhibitors of AKT1 for Therapeutic Targeting of Oral Squamous Cell Carcinoma
  19. Corrigendum: SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines
  20. Investigation of antidiabetic properties of shikonin by targeting aldose reductase enzyme: In silico and in vitro studies
  21. Epigallocatechin 3-gallate: From green tea to cancer therapeutics
  22. Bioactive Phytoconstituents as Potent Inhibitors of Tyrosine-Protein Kinase Yes (YES1): Implications in Anticancer Therapeutics
  23. Comparative analysis of web-based programs for single amino acid substitutions in proteins
  24. Cadmium-Tolerant Plant Growth-Promoting Bacteria Curtobacterium oceanosedimentum Improves Growth Attributes and Strengthens Antioxidant System in Chili (Capsicum frutescens)
  25. Recent Advances in Small Molecule Medicinal Chemistry to Treat Human Diseases: Part V
  26. Biomedical features and therapeutic potential of rosmarinic acid
  27. Biological Evaluation in Resistant Cancer Cells and Study of Mechanism of Action of Arylvinyl-1,2,4-Trioxanes
  28. Insights into the Antibacterial Activity of Prolactin-Inducible Protein against the Standard and Environmental MDR Bacterial Strains
  29. Elucidating the Interactions of Fluoxetine with Human Transferrin Employing Spectroscopic, Calorimetric, and In Silico Approaches: Implications of a Potent Alzheimer’s Drug
  30. Discovery of Natural Product Inspired 3-Phenyl-1H-isochromen-1-ones as Highly Potent Antioxidant and Antiplatelet Agents: Design, Synthesis, Biological Evaluation, SAR and In Silico Studies
  31. Identification of intrinsically disorder regions in non-structural proteins of SARS-CoV-2: New insights into drug and vaccine resistance
  32. SARS-CoV-2: Recent Variants and Clinical Efficacy of Antibody-Based Therapy
  33. Effect of pH on the structure and function of cyclin-dependent kinase 6
  34. Differential gene expression and network analysis in head and neck squamous cell carcinoma
  35. Mechanistic Insight into Binding of Huperzine A with Human Serum Albumin: Computational and Spectroscopic Approaches
  36. Antiviral Effects of Artemisinin and Its Derivatives against SARS-CoV-2 Main Protease: Computational Evidences and Interactions with ACE2 Allelic Variants
  37. Inhibition of MARK4 by serotonin as an attractive therapeutic approach to combat Alzheimer's disease and neuroinflammation
  38. Bioactive phytoconstituents as potent inhibitors of casein kinase-2: dual implications in cancer and COVID-19 therapeutics
  39. Drug Resistance Reversal Potential of Nanoparticles/Nanocomposites via Antibiotic’s Potentiation in Multi Drug Resistant P. aeruginosa
  40. Breast Cancer Transcriptional Regulatory Network Reprogramming by using the CRISPR/Cas9 System: An Oncogenetics Perspective
  41. Potential Therapeutic Strategies of Phytochemicals in Neurodegenerative Disorders
  42. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases - Part IV
  43. Investigating host-virus interaction mechanism and phylogenetic analysis of viral proteins involved in the pathogenesis
  44. Identification of Phytoconstituents as Potent Inhibitors of Casein Kinase-1 Alpha Using Virtual Screening and Molecular Dynamics Simulations
  45. SARS-CoV-2: Emergence of New Variants and Effectiveness of Vaccines
  46. Mechanistic insights into the role of serum-glucocorticoid kinase 1 in diabetic nephropathy: A systematic review
  47. Topical Insights Into the Post-Approval Controversies of Aducanumab
  48. Therapeutic Potential of Ursolic Acid in Cancer and Diabetic Neuropathy Diseases
  49. Current Potential Therapeutic Approaches against SARS-CoV-2: A Review
  50. Investigating single amino acid substitutions in PIM1 kinase: A structural genomics approach
  51. Role of PARP in TNBC: Mechanism of Inhibition, Clinical Applications, and Resistance
  52. Genomic Variations in the Structural Proteins of SARS-CoV-2 and Their Deleterious Impact on Pathogenesis: A Comparative Genomics Approach
  53. MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease
  54. Drug resistance reversal potential of multifunctional thieno[3,2-c]pyran via potentiation of antibiotics in MDR P. aeruginosa
  55. Exploring the role of epidermal growth factor receptor variant III in meningeal tumors
  56. B Cell Lymphoma 2: A Potential Therapeutic Target for Cancer Therapy
  57. TNBC: Potential Targeting of Multiple Receptors for a Therapeutic Breakthrough, Nanomedicine, and Immunotherapy
  58. Novel halogenated Arylvinyl-1,2,4 trioxanes as potent antiplasmodial as well as anticancer agents: Synthesis, Bioevaluation, structure-activity relationship and in-silico studies
  59. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part III
  60. Potential Therapeutic Relevance of CRISPR/Cas9 Guided Epigenetic Regulations for Neuropsychiatric Disorders
  61. The Bioactive Potential of Culturable Fungal Endophytes Isolated From the Leaf of Catharanthus roseus (L.) G. Don
  62. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases-Part II
  63. In silico identification of prolyl hydroxylase inhibitor by per‐residue energy decomposition‐based pharmacophore approach
  64. Recent Advances on Small Molecule Medicinal Chemistry to Treat Human Diseases
  65. Role of Extracellular Vesicles in Glioma Progression: Deciphering Cellular Biological Processes to Clinical Applications
  66. CRISPR/Cas9 based genome editing for targeted transcriptional control in triple-negative breast cancer
  67. Inactivation of Infectious Bacteria Using Nonthermal Biocompatible Plasma Cabinet Sterilizer
  68. Recent Advances in Pathophysiology, Drug Development and Future Perspectives of SARS-CoV-2
  69. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study
  70. Atomic-scale modeling of the effect of lipid peroxidation on the permeability of reactive species
  71. Electric-field-induced electroporation and permeation of reactive oxygen species across a skin membrane
  72. Cold atmospheric plasma generated reactive species aided inhibitory effects on human melanoma cells: an in vitro and in silico study
  73. Synthesis, Bioevaluation, Structure-Activity Relationship and Docking Studies of Natural Product Inspired (Z)-3-benzylideneisobenzofuran-1(3H)-ones as Highly Potent antioxidants and Antiplatelet agents
  74. In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor
  75. Ligand‐based pharmacophore modeling and docking studies on vitamin D receptor inhibitors
  76. Immunopathology, host-virus genome interactions, and effective vaccine development in SARS-CoV-2
  77. Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening and Molecular Dynamic Simulation Study
  78. Recent Developments in Natural Product Inspired Synthetic 1,2,4- Trioxolanes (Ozonides)
  79. Comparative Drug Resistance Reversal Potential of Natural Glycosides: Potential of Synergy Niaziridin & Niazirin
  80. Molecular Targets for Malarial Chemotherapy: A Review
  81. Molecular dynamic simulations of oxidized skin lipid bilayer and permeability of reactive oxygen species
  82. Anti-cancer effect of GV1001 for prostate cancer: function as a ligand of GnRHR
  83. Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay
  84. Insight from Molecular dynamic simulation of reactive oxygen species in oxidized skin membrane
  85. Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design, Synthesis, Structure-Activity Relationships, Biological Evaluations, and in silico Molecular Docking Studies
  86. Insight Into the Molecular Dynamic Simulation Studies of Reactive Oxygen Species in Native Skin Membrane
  87. Synergy of clavine alkaloid ‘chanoclavine’ with tetracycline against multi-drug-resistant E. coli
  88. Synthesis, biological evaluation and molecular docking study of 1-amino-2-aroylnaphthalenes against prostate cancer
  89. Discovery of C-3 Tethered 2-oxo-benzo[1,4]oxazines as Potent Antioxidants: Bio-Inspired Based Design, Synthesis, Biological Evaluation, Cytotoxic, and in Silico Molecular Docking Studies
  90. Molecular Insights into the Interaction of RONS and Thieno[3,2-c]pyran Analogs with SIRT6/COX-2: A Molecular Dynamics Study
  91. Non-peptide-based new class of platelet aggregation inhibitors: Design, synthesis, bioevaluation, SAR, and in silico studies
  92. Microwave-assisted One-pot Efficient Synthesis of Functionalized 2-Oxo-2-phenylethylidenes-linked 2-Oxobenzo[1,4]oxazines and 2-Oxoquino[1,4]oxalines: Synthetic Applications, Antioxidant Activity, SAR and Cytotoxic Studies
  93. Pharmacological use of a novel scaffold, anomeric N,N-diarylamino tetrahydropyran: molecular similarity search, chemocentric target profiling, and experimental evidence
  94. Novel Gomisin B analogues as potential cytotoxic agents: Design, synthesis, biological evaluation and docking studies
  95. The JAK2 inhibitors CEP-33779 and NVP-BSK805 have high P-gp inhibitory activity and sensitize drug-resistant cancer cells to vincristine
  96. Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking
  97. Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer
  98. The comparison of automated clustering algorithms for resampling representative conformer ensembles with RMSD matrix
  99. Proteomics of rare genetic diseases: Impact of cystinosin mutations on protein stability and protein network by dynamic SILAC and interactomics
  100. New arylated benzo[h]quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage
  101. Software and Web Resources for Computer-Aided Molecular Modeling and Drug Discovery
  102. Erratum to: Synthesis, antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra
  103. Synthesis, antitubercular activity, and molecular modeling studies of analogues of isoliquiritigenin and liquiritigenin, bioactive components from Glycyrrhiza glabra
  104. Molecular Modeling Based Synthesis and Evaluation of In vitro Anticancer Activity of Indolyl Chalcones
  105. Influence of reactive species on the modification of biomolecules generated from the soft plasma
  106. Drug Resistance Reversal Potential of Ursolic Acid Derivatives against Nalidixic Acid- and Multidrug-resistantEscherichia coli
  107. Synthesis and evaluation of anticancer activity of novel andrographolide derivatives
  108. In vitro antimalarial activity and molecular modeling studies of novel artemisinin derivatives
  109. Molecular Docking and Biological Evaluation of Functionalized benzo[h]quinolines as Colon Cancer Agents
  110. Support Vector Machine Prediction of Drug Solubility on GPUs
  111. Induced apoptosis in melanocytes cancer cell and oxidation in biomolecules through deuterium oxide generated from atmospheric pressure non-thermal plasma jet
  112. Synthesis of 2-alkoxy and 2-benzyloxy analogues of estradiol as anti-breast cancer agents through microtubule stabilization
  113. QSAR and Docking Based Semi-Synthesis and In Vivo Evaluation of Artemisinin Derivatives for Antimalarial Activity
  114. 4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1
  115. QSAR Guided Semi-synthesis and In-Vitro Validation of Anticancer Activity in Ursolic Acid Derivatives
  116. 4-Hydroxy-α-Tetralone and its Derivative as Drug Resistance Reversal Agents in Multi Drug ResistantEscherichia coli
  117. QSAR and docking studies on chalcone derivatives for antitubercular activity againstM. tuberculosisH37Rv
  118. Design, Synthesis and In Vitro Evaluation of 18β-Glycyrrhetinic Acid Derivatives for Anticancer Activity Against Human Breast Cancer Cell Line MCF-7
  119. Synthesis of neolignans as microtubule stabilisers
  120. QSAR and Docking Based Semi-synthesis and in vitro Evaluation of 18 β-glycyrrhetinic Acid Derivatives Against Human Lung Cancer Cell Line A-549
  121. Molecular Docking and ADME Studies of Natural Compounds of Agarwood Oil for Topical Anti-Inflammatory Activity
  122. 3-Methylcholanthrene Induces Neurotoxicity in Developing Neurons Derived from Human CD34+Thy1+ Stem Cells by Activation of Aryl Hydrocarbon Receptor
  123. Syntheses of lipophilic chalcones and their conformationally restricted analogues as antitubercular agents
  124. Pkb/Akt1 Mediates Wnt/GSK3β/β-Catenin Signaling-Induced Apoptosis in Human Cord Blood Stem Cells Exposed to Organophosphate Pesticide Monocrotophos
  125. QSAR, docking and ADMET studies of camptothecin derivatives as inhibitors of DNA topoisomerase-I
  126. QSAR, docking and in vitro studies for anti-inflammatory activity of cleomiscosin A methyl ether derivatives
  127. QSAR, Docking and ADMET Studies of Artemisinin Derivatives for Antimalarial Activity Targeting Plasmepsin II, a Hemoglobin-Degrading Enzyme from P. falciparum
  128. Screening of flavonoids for antitubercular activity and their structure–activity relationships
  129. QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo
  130. Synthesis and anticancer activity of 2-benzylidene indanones through inhibiting tubulin polymerization
  131. Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity
  132. QSAR and Docking Studies of Gallic Acid Derivatives for Anticancer and Immunomodulatory Activity
  133. QSAR studies on Withanolide analogs for anticancer activity
  134. QSAR and Docking Studies of Gallic Acid Derivatives for Anticancer and Immunomodulatory Activity
  135. QSAR studies on Withanolide analogs for anticancer activity
  136. Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity
  137. In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids
  138. Modern Methods & Web Resources in Drug Design & Discovery
  139. Detection of substrate binding motifs for morphine biosynthetic pathway intermediates in novel wound inducible (R,S)-reticuline 7-O-methyltransferase of Papaver somniferum
  140. Detection of substrate binding motifs for morphine biosynthetic pathway intermediates in novel wound inducible (R,S)-reticuline 7-O-methyltransferase of Papaver somniferum
  141. Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I
  142. Docking and QSAR Studies of Camptothecin Derivatives as Inhibitor of DNA Topoisomerase-I