Keyword Connections

Docking

Journals

36

1 Organic letters

2 European journal of medicinal chemistry

3 Pharmaceuticals (Basel, Switzerland)

4 Bioorganic chemistry

5 Heliyon

6 PloS one

7 current pharmaceutical biotechnology

8 Molecules (Basel, Switzerland)

9 Journal of medicinal chemistry

10 ACS omega

11 Frontiers in chemistry

12 Molecular diversity

13 Computational biology and chemistry

14 combinatorial chemistry & high throughput screening

15 Microbial pathogenesis

16 Applied and environmental microbiology

17 Chemical biology & drug design

18 current computer-aided drug design

19 computational and structural biotechnology journal

20 The New England journal of medicine

21 Journal of biomolecular structure & dynamics

22 journal of biological inorganic chemistry : jbic : a publication of the society of biological inorganic chemistry

23 IEEE Transactions on Neural Networks and Learning Systems

24 Parasites & vectors

25 Translational Psychiatry

26 American journal of ophthalmology

27 journal of materials chemistry b

28 SpringerPlus

29 The ISME journal

30 jama oncology

31 drug development research

32 journal of molecular recognition : jmr

33 Nature Immunology

34 assay and drug development technologies

35 Zhonghua bing li xue za zhi = Chinese journal of pathology

36 Italian journal of dermatology and venereology

Research Groups

0

No Research Group Connected

Bibliographies

45

1 Molecular Docking and Cogitation Validate Mefenamic Acid Prodrugs as Human Cyclooxygenase-2 Inhibitor.

2 In vitro Biological Estimation of [1,2,3]triazolo[4,5-d]pyrimidine Derivatives as Anti-breast Cancer Agent: DFT, QSAR and Docking Studies.

3 Copper-Catalyzed Three-Component Reaction of Alkynes, TMSN, and Ethers: Regiocontrollable Synthesis of N- and N-Oxyalkylated 1,2,3-Triazoles.

4 Evaluation of drug candidature: In silico ADMET, binding interactions with CDK7 and normal cell line studies of potentially anti-breast cancer enamidines.

5 'Stealth' corporate innovation: an emerging threat for therapeutic drug development.

6 Horizontal acquisition of a patchwork Calvin cycle by symbiotic and free-living Campylobacterota (formerly Epsilonproteobacteria).

7 Identification of 2CS-CHX operon signature of chlorhexidine tolerance among .

8 Immunization with proline rich region of pneumococcal surface protein A has no role in protection against Streptococcus pneumoniae serotype 19F.

9 Confounding by indication of the safety of de-escalation in community-acquired pneumonia: A simulation study embedded in a prospective cohort.

10 Design And Molecular Docking Studies Of Some 2, 3 Di-Substituted Quinazolin-4-One Analogues Against Staphylococcus aureus UDG.

11 Synthesis, anti-inflammatory, bactericidal activities and docking studies of novel 1,2,3-triazoles derived from ibuprofen using click chemistry.

12 Novel histone deacetylase inhibitors bearing a 4-piperidin-4-yl-triazole scaffold as antitumor agents.

13 1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies.

14 Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors.

15 Triazole Bridged Flavonoid Dimers as Potent, Nontoxic, and Highly Selective Breast Cancer Resistance Protein (BCRP/ABCG2) Inhibitors.

16 Oral Selinexor-Dexamethasone for Triple-Class Refractory Multiple Myeloma.

17 Recent advances in the synthetic and medicinal perspective of quinolones: A review.

18 Chitosan/hydroxyapatite composite bone tissue engineering scaffolds with dual and decoupled therapeutic ion delivery: copper and strontium.

19 Novel fatty acid-thiadiazole derivatives as potential antimycobacterial agents.

20 Antifungal effects of a 1,3,4-thiadiazole derivative determined by cytochemical and vibrational spectroscopic studies.

21 Potential inhibitors of the enzyme acetylcholinesterase and juvenile hormone with insecticidal activity: study of the binding mode via docking and molecular dynamics simulations.

22 Human Albumin Impairs Amyloid β-peptide Fibrillation Through its C-terminus: From docking Modeling to Protection Against Neurotoxicity in Alzheimer's disease.

23 Energy Disaggregation via Deep Temporal Dictionary Learning.

24 Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues.

25 A systematic review of the role of the nociceptin receptor system in stress, cognition, and reward: relevance to schizophrenia.

27 Computational Druglikeness Assessment, Synthesis, Characterization and in vitro Biological Activity Evaluation of some Novel Mixed Metal Complexes of 2-(butan-2-ylidene) hydrazinecarbothioamide.

28 Synthesis, Antibacterial Activity and Molecular Docking of Phospholidinones in Stigmastane Series.

29 Novel metal complexes containing 6-methylpyridine-2-carboxylic acid as potent α-glucosidase inhibitor: synthesis, crystal structures, DFT calculations, and molecular docking.

30 New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling.

31 A study of Pt(II)-phenanthroline complex interactions with double-stranded and G-quadruplex DNA by ESI-MS, circular dichroism, and computational docking.

32 synaptic vesicle tethering and the cav2.2 distal c-terminal

33 cloning, functional characterization and catalytic mechanism of a bergaptol o-methyltransferase from peucedanum praeruptorum dunn

34 improved shoot regeneration, salinity tolerance and reduced fungal susceptibility in transgenic tobacco constitutively expressing pr-10a gene

35 thymol, a monoterpene, inhibits aldose reductase and high-glucose-induced cataract on isolated goat lens

36 repositioning fda drugs as potential cruzain inhibitors from trypanosoma cruzi: virtual screening, in vitro and in vivo studies

37 Design and synthesis of novel isatin-based derivatives targeting cell cycle checkpoint pathways as potential anticancer agents.

38 New nimesulide derivatives with amide/sulfonamide moieties: Selective COX-2 inhibition and antitumor effects.

39 Molecular modeling studies demonstrate key mutations that could affect the ligand recognition by influenza AH1N1 neuraminidase

40 Diabetic wound healing of aloe vera major phytoconstituents through TGF-β1 suppression docking, molecular dynamic simulation and pharmacokinetic studies.

41 Virtual screening, molecular docking, molecular dynamics, and MM-GBSA approaches identify prospective fructose-1,6-bisphosphatase inhibitors from pineapple for diabetes management.

42 Immune-mediated oral mucosal pathology: a comprehensive review and update for clinicians. Part I.

43 In Silico Prediction of Cytoadherence Inhibitors That Disrupt Interaction between gC1qR-DBLβ12 Complex.

44 Introduction of protein vaccine candidate based on AP65, AP33, and α-actinin proteins against Trichomonas vaginalis parasite: an immunoinformatics design.

45 [Clinicopathological characteristics and immune microenvironment of breast squamous cell carcinoma].