Scopus by Title (Ref)

1. Computational drug design of novel compounds from thymus vulgaris extract as promising candidates for lyme disease therapy: Targeting the OpsC protein through structure-based approaches

- NAVEED M. , et al.

2. EMs functionalized GO in sensing of dinotefuran: Computational, electrochemical and experimental approaches

- Raman A.P.S. , et al.

3. A computational and experimental dive into the biopotential of paeonol based imine derivative and its metal complexes

- Sheela S.F.S. , et al.

4. Rational Design of Pyrazole–Chalcone Congeners via Enumeration: Insights From Molecular Docking, MM-GBSA, Pharmacophore Modelling, MD Simulations and DFT Calculations

- Zakiya Fathima C. , et al.

5. Insights into in silico analysis to explore the multitarget antidepressant role of Camellia sinensis

- Choudhary D. , et al.

6. Quantitative Structure-Activity Relationship, Pharmacokinetics, Drug-likeness, Toxicity, and Molecular Docking Studies of 4-N-(Methyl)-4-Aminoquinoline Derivatives as Antimalarial Compounds

- Baari M.J. , et al.

7. Towards Targeted Antimalarial Therapies: A Review of Computational Methods in PfDHODH Inhibition

- Thomas T.V. , et al.

8. Thin layer chromatography for evaluating biomimetic properties of structurally related compounds

- Starek M. , et al.

9. An Insight for Interaction Between Dinotefuran and Acetylcholinesterase: Docking, Molecular Dynamics Simulations, PCA, and DFT Calculations

- Arun , et al.

10. Antiparasitic Activity of Coumarin–Chalcone (3-Cinnamoyl-2H-Chromen-2-Ones) Hybrids

- Valencia S. , et al.

11. Exploring azetidine containing heterocycles: From green synthesis to applications

- Jaiswal S. , et al.

12. Antibacterial activity analysis of kaempferol and its derivatives targeting virulence and quorum sensing associated proteins by in silico methods

- Majumdar G. , et al.

13. Synthesis, characterization, and enzyme inhibition evaluation of sitagliptin derivatives and their metal complexes

- Ahmed J. , et al.

14. The Antifungal Activity Prediction and the Toxicity Of The Main Phytoconstituents of an Apiaceous Species From Algeria

- Elkolli M. , et al.

15. Evaluation of broad-spectrum antibacterial efficacy of quercetin by molecular docking, molecular dynamics simulation and in vitro studies

- Majumdar G. , et al.

16. New insights into the substrate specificity of cholesterol oxidases for more aware application

- Shapira M. , et al.

17. Least absolute shrinkage and selection operator-based prediction of the binding constant of p-Sulfonatocalix[6]/[8]arenes with Alkaloids

- Yin Y. , et al.

18. Rhamnetin, a nutraceutical flavonoid arrests cell cycle progression of human ovarian cancer (SKOV3) cells by inhibiting the histone deacetylase 2 protein

- Bharadwaj K.K. , et al.

19. Anti-angiogenic Potential of Trans-chalcone in an In Vivo Chick Chorioallantoic Membrane Model: An ATP Antagonist to VEGFR with Predicted Blood-brain Barrier Permeability

- Senrung A. , et al.

20. Homology modeling, docking, and ADMET studies of benzoheterocyclic 4-aminoquinolines analogs as inhibitors of Plasmodium falciparum

- Ibrahim Z.Y. , et al.

21. Triose Phosphate Isomerase Structure-Based Virtual Screening and In Vitro Biological Activity of Natural Products as Leishmania mexicana Inhibitors

- González-Morales L.D. , et al.

22. Investigate the designing of eutectic mixture using DFT computation and evaluate their biological potency using molecular docking

- Pratap Singh Raman A. , et al.

23. Switching of newly synthesized linker-based derivatives of non-steroidal anti-inflammatory drugs toward anti-inflammatory and anticancer activity

- Kaur M. , et al.

24. A Comprehensive Approach to Derivatization: Elemental Composition, Biochemical, and In Silico Studies of Metformin Derivatives Containing Copper and Zinc Complexes

- Ahmed J. , et al.

25. Exploration of the potential neuroprotective compounds targeting GluN1-GluN2B NMDA receptors

- He M. , et al.