All Stories

  1. QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors
  2. Repurposing of Drugs and HTS to Combat SARS-CoV-2 Main Protease Utilizing Structure-Based Molecular Docking
  3. Natural Sourced Traditional Indian and Chinese Medicines to Combat COVID-19
  4. Exploring Spike Protein as Potential Target of Novel Coronavirus and to Inhibit the Viability Utilizing Natural Agents
  5. Exploring the COVID-19 Potential Targets: Big Challenges to Quest Specific Treatment
  6. Exploring Targets of Cell Wall Protein Synthesis and Overexpression Mediated Drug Resistance for the Discovery of Potential M. tb Inhibitors
  7. The Antiviral and Antimalarial Drug Repurposing in Quest of Chemotherapeutics to Combat COVID-19 Utilizing Structure-Based Molecular Docking
  8. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors
  9. QSAR and molecular docking studies of lethal factor protease inhibitors against Bacillus anthracis
  10. Identification of Therapeutically Active Molecules against Anthrax through Structure and Ligand based Drug Design
  11. Lipid Lowering Oxopropanylindole Hydrazone Derivatives with Antioxidant and Anti-hyperglycemic Activity
  12. Molecular modelling studies in explaining the higher GPVI antagonistic activity of the racemic 2-(4-methoxyphenylsulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide than its enantiomers
  13. Pharmacophore Modeling, Docking and Molecular Dynamics Studies on Caspase-3 Activators Binding at β-Tubulin Site
  14. Molecular Modelling Based Target Identification for Endo-Peroxides Class of Antimalarials
  15. ChemInform Abstract: Reinvestigations into Synthesis of Allyldithiocarbamates and Their Intramolecular Cyclization: Synthesis and Antihyperglycemic Activity of 2-Thioxothiazolidine-4-alkanoates.
  16. Novel Glycoconjugate of 8-Fluoro Norfloxacin Derivatives as Gentamicin-resistantStaphylococcus aureusInhibitors: Synthesis and Molecular Modelling Studies
  17. Stereoconvergent synthesis of 1-deoxynojirimycin isomers by using the 3 component 4 centred Ugi reaction
  18. Improved oral bioavailability of novel antithrombotic S002-333 via chitosan coated liposomes: a pharmacokinetic assessment
  19. Operative conversions of 3-carboxy-4-quinolones into 3-nitro-4-quinolones via ipso-nitration: potential antifilarial agents as inhibitors of Brugia malayi thymidylate kinase
  20. Identification of novel PTP1B inhibitors by pharmacophore based virtual screening, scaffold hopping and docking
  21. Pharmacokinetic and metabolism studies of rohitukine in rats by high performance liquid-chromatography with tandem mass spectrometry
  22. ChemInform Abstract: Metal-Free, Mild, Nonepimerizing, Chemo- and Enantio- or Diastereoselective N-Alkylation of Amines by Alcohols via Oxidation/Imine-Iminium Formation/Reductive Amination: A Pragmatic Synthesis of Octahydropyrazinopyridoindoles and High
  23. Molecular cloning and characterization of Brugia malayi thymidylate kinase
  24. ChemInform Abstract: (R/S)-BINOL-α-Phosphoryloxy Enecarbamate-Mediated and (R/S)-Titanium(IV) BINOLates-Catalyzed Enantioselective Intramolecular Heck/Aza-Diels-Alder Cycloaddition (IHADA): An Expedient Methodology.
  25. Purification and Physicochemical Characterization of a Trypsin Inhibitor from Cassia absus Linn
  26. Drug/drug interaction of common NSAIDs with antiplatelet effect of aspirin in human platelets
  27. Erratum to: Antidyslipidemic and Antioxidant Effects of Novel Lupeol-Derived Chalcones
  28. (R/S)-BINOL-α-Phosphoryloxy Enecarbamate-Mediated and (R/S)-Titanium(IV) BINOLates-Catalyzed Enantioselective Intramolecular Heck/Aza-Diels-Alder Cycloaddition (IHADA): An Expedient Methodology
  29. In vitrometabolism of a novel antithrombotic compound, S002-333, and its enantiomers: quantitative cytochrome P450 phenotyping, metabolic profiling and enzyme kinetic studies
  30. Antidyslipidemic and Antioxidant Effects of Novel Lupeol-Derived Chalcones
  31. ChemInform Abstract: Room Temperature Palladium-Catalyzed Decarboxylative Acyl/Aroylation Using [Fe(III)(EDTA)(η2-O2)]3-as Oxidant at Biological pH.
  32. Identification and characterisation of small-molecule inhibitors of Rv3097c-encoded lipase (LipY) of Mycobacterium tuberculosis that selectively inhibit growth of bacilli in hypoxia
  33. One pot conversion of carbohydrates alcohol into chloride via benzotriazole sulfonate
  34. Room Temperature Palladium-Catalyzed Decarboxylative Acyl/Aroylation using [Fe(III)(EDTA)(η2-O2)]3−as Oxidant at Biological pH
  35. Identification of Novel Amino Acid Derived CCK-2R Antagonists As Potential Antiulcer Agent: Homology Modeling, Design, Synthesis, and Pharmacology
  36. Identification of novel urea derivatives as PTP1B inhibitors: synthesis, biological evaluation and structure–activity relationships
  37. Identification and optimization of novel pyrimido-isoxazolidine and oxazine as selective hydride donors
  38. Toward the Identification of a Reliable 3D QSAR Pharmacophore Model for the CCK2 Receptor Antagonism
  39. Identification of Novel S-Adenosyl-l-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation
  40. Employing lactams for the unprecedented enantiopure synthesis of non-natural amino acid derivatives
  41. Parikh–Doering oxidation–dehydration–Ugi cyclization cascade in the development of lactams from formidoalkanols (3>chain length>7)
  42. Synthesis and 2D QSAR of O-sulphonated β-aminols derivatives as novel antifungal and antibacterial agents
  43. Structural Basis for the β-Adrenergic Receptor Subtype Selectivity of the Representative Agonists and Antagonists
  44. Current trends in drug discovery research “CTDDR-2010”
  45. Novel Carbamates as Orally Active Acetylcholinesterase Inhibitors Found to Improve Scopolamine-Induced Cognition Impairment: Pharmacophore-Based Virtual Screening, Synthesis, and Pharmacology †
  46. Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study
  47. Pharmacophore Modeling of Substituted 1,2,4-Trioxanes for Quantitative Prediction of their Antimalarial Activity †
  48. 3D-QSAR CoMFA and CoMSIA studies on a set of diverse α1a-adrenergic receptor antagonists
  49. ChemInform Abstract: Synthesis and SAR Studies of 1-Substituted-n-(4-alkoxycarbonylpiperidin-1-yl)alkanes as Potent Antiarrhythmic Agents.
  50. ChemInform Abstract: Microwave-Assisted Stereospecific Synthesis of (S)-3-Substituted 2,3,6,7,12,12a-Hexahydropyrazino[1′,2′:1,6]pyrido [3,4-b]indole-1,4-diones.
  51. ChemInform Abstract: Syntheses and QSAR Studies of 5-Imidazolinone Derivatives as Potential Antibacterial Agents.
  52. Synthesis of protein tyrosine phosphatase 1B inhibitors: Model validation and docking studies
  53. Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as β3-adrenergic receptor agonists: Design, synthesis, biological evaluation and pharmacophore modeling
  54. An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis
  55. ChemInform Abstract: Synthesis and QSAR Studies of Thiosemicarbazides, 1,2,4-Triazoles, 1,3,4-Thiadiazoles and 1,3,4-Oxadiazoles Derivatives as Potential Antibacterial Agents.
  56. Computer-Aided Discovery of Anti-Inflammatory Thiazolidinones with Dual Cyclooxygenase/Lipoxygenase Inhibition
  57. 2D- QSAR studies on new stilbene derivatives of resveratrol as a new selective aryl hydrocarbon receptor
  58. 2D-QSAR of purine-scaffold novel class of Hsp90 binders that inhibit the proliferation of cancer cells
  59. QSAR analysis of PPAR-γ agonists as anti-diabetic agents
  60. Computer-Aided Drug Design: Integration of Structure-Based and Ligand-Based Approaches in Drug Design
  61. Synthesis and QSAR studies on hypotensive 1-[3-(4-substituted phenylthio) propyl]-4-(substituted phenyl) piperazines
  62. 3D QSAR Studies on Protein Tyrosine Phosphatase 1B Inhibitors: Comparison of the Quality and Predictivity Among 3D QSAR Models Obtained from Different Conformer-Based Alignments.
  63. Synthesis of some substituted pyrazinopyridoindoles and 3D QSAR studies along with related compounds: Piperazines, piperidines, pyrazinoisoquinolines, and diphenhydramine, and its semi-rigid analogs as antihistamines (H1)
  64. QSAR Analysis of the Time- and Dose-Dependent Anti-Inflammatoryin vivo Activity of Substituted Imidazo[1,2-a]pyridines Using Artificial Neural Networks
  65. Evaluation of Binary QSAR Models Derived from LUDI and MOE Scoring Functions for Structure Based Virtual Screening
  66. CoMFA and Docking Studies on Glycogen Phosphorylase a Inhibitors as Antidiabetic Agents.
  67. Characterization of β3-adrenergic receptor: determination of pharmacophore and 3D QSAR model for β3 adrenergic receptor agonism
  68. CoMFA and Docking Studies on Glycogen Phosphorylase a Inhibitors as Antidiabetic Agents #
  69. CURRENT TRENDS IN DRUG DISCOVERY RESEARCH
  70. SYNTHESIS, ANOREXIGENIC ACTIVITY AND QSAR OF SUBSTITUTED ARYLOXYPROPANOLAMINES
  71. QSAR AND MOLECULAR MODELING STUDIES IN IMIDAZOPYRIDINETHIAZOLIDINE-2,4-DIONES: PPARγ AGONISTS
  72. 3D-QSAR STUDIES ON SUBSTITUTED DIHYDROPYRIDINES FOR THEIR α1A-ADRENERGIC RECEPTOR BINDING AFFINITY
  73. CoMFA AND CoMSIA STUDIES ON A SET OF BENZYL PIPERAZINES, PIPERADINES, PYRAZINOPYRIDOINDOLES, PYRAZINOISOQUINOLINES AND SEMI RIGID ANALOGS OF DIPHENHYDRAMINE
  74. A CONVENIENT ROUTE FOR THE SYNTHESIS OF CIS-1-SUBSTITUTED 1,2,3,4,4a,5,11,11a-OCTAHYDRO-6H-PYRIDO[3,2-b]CARBAZOLES AND 4-SUBSTITUTED 1,2,3,4,4a,5,6,11c-OCTAHYDRO-7H-PYRIDO[2,3-c] CARBAZOLES AS POTENT DOPAMINE AGONISTS
  75. CURRENT TRENDS IN DRUG DISCOVERY RESEARCH
  76. Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist
  77. Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-l-tyrosines as PPARγ agonists
  78. QSAR analysis of the time dependent hypotensive activity of 1-[3-(4-substituted phenylthio)propyl]-4-(3,4-substituted phenyl)piperazines using Artificial Neural Networks
  79. Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: human β3-Adrenergic receptor agonist
  80. QSAR studies in substituted 1,2,3,4,6,7,12,12a-octa-hydropyrazino[2′,1′:6,1]pyrido[3,4-b]indoles—a potent class of neuroleptics
  81. Development of 3D-QSAR models for 5-Lipoxygenase antagonists: chalcones
  82. 2D-QSAR in hydroxamic acid derivatives as peptide deformylase inhibitors and antibacterial agents
  83. Preface
  84. Synthesis, molecular modeling and QSAR studies in chiral 2,3-disubstituted-1,2,3,4-tetrahydro-9H-pyrido(3,4-b)indoles as potential modulators of opioid antinociception
  85. Microwave assisted stereospecific synthesis of (S)-3-substituted 2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-diones
  86. 3-D QSAR studies of triazolinone based balanced AT1/AT2 receptor antagonists
  87. Fourier transform infrared spectra and normal mode analysis of 1-[(3-methyl phenyl) piperazin-1-yl]-3-[thio(4-acetamido-phenyl]propane: a potent 5-HT2 and D2 receptor ligand
  88. Quantitative Structure-Activity and Structure-Toxicity Relationships of 4-Aminodiphenyl Sulphone Derivatives with Antiinflammatory Activity
  89. Developments in anticonvulsants
  90. Reply to H. Kubinyi's Rebuttal
  91. Physicochemical Significance of Topological Parameters, Connectivity Indices and Information Content. Part 1: Correlation Studies in the Sets with Aromatic and Aliphatic Substituents
  92. Physicochemical Significance of Topological Parameters: Molecular Connectivity Index and Information Content: Part 2. Correlation Studies With Molar Refractivity and Lipophylicity
  93. Progress in Drug Research / Fortschritte der Arzneimittelforschung / Progrès des recherches pharmaceutiques
  94. Application of QSAR and molecular modelling in designing 1-[4-arylpiperazin-1-yl]-3-thioarylpropanes: A new class of centrally acting hypotensive agents
  95. Developments in antihistamines (H1)
  96. Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of [.beta.-(aroylamino)ethyl]piperazines and -piperidines and [2-[(arylamino)carbonyl]ethyl]piperazines, -piperidines, -pyrazinopyridoindoles, and -pyrazinoisoq...
  97. Pyrimidinones as biodynamic agents
  98. Advances in chemotherapy of malaria
  99. Syntheses and Biological Activities of 1,4-Disubstituted Piperidines
  100. A Convenient Method for the Synthesis of 2,6-Disubstituted 3-Aryl-4(3 H )-pyrimidones
  101. A Convenient Method for Indole N -Alkylation in Substituted Pyrazino[2′,1′:6,1]pyrido[3,4- b ]indoles
  102. Neuroleptic receptors: Stereoselectivity for neuroleptic enantiomers
  103. Quantitative structure-activity relationships