Keyword Connections

Molecular docking studies

Journals

3

1 Bioorganic chemistry

2 combinatorial chemistry & high throughput screening

3 bioconjugate chemistry

Research Groups

0

No Research Group Connected

Bibliographies

47

1 Green synthesis, biological activity evaluation, and molecular docking studies of aryl alkylidene 2, 4-thiazolidinedione and rhodanine derivatives as antimicrobial agents.

2 synthesis and antimalarial activity of novel dihydro-artemisinin derivatives

3 New piperidine-hydrazone derivatives: Synthesis, biological evaluations and molecular docking studies as AChE and BChE inhibitors

4 Investigation on 4-amino-5-substituent-1,2,4-triazole-3-thione Schiff bases an antifungal drug by characterization (spectroscopic, XRD), biological activities, molecular docking studies and electrostatic potential (ESP)

5 Synthesis, anticancer activity and molecular docking studies on 1,2-diarylbenzimidazole analogues as anti-tubulin agents.

6 Antioxidant and anti-infective potential of ethanolic extract of eriobotrya bengalensis (Roxb.) Hook. F.: Phytochemicals investigation and molecular docking studies

7 Viscosine as a Potent and Safe Antipyretic Agent Evaluated by Yeast-Induced Pyrexia Model and Molecular Docking Studies.

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

9 Salophen Copper(II) Complex-Assisted Click Reactions for Fast Synthesis of 1,2,3-Triazoles Based on Naphthalene-1,4-dione Scaffold, Antibacterial Evaluation, and Molecular Docking Studies

10 3D QSAR Modeling and Molecular Docking Studies on a Series of Triazole Analogues as Antibacterial Agents

11 1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies.

12 Synthesis, biological activities and molecular docking studies of some novel 2,4,5-trisubstituted-1,2,4-triazole-3-one derivatives as potent tyrosinase inhibitors

13 Synthesis, anti-inflammatory, p38α MAP kinase inhibitory activities and molecular docking studies of quinoxaline derivatives containing triazole moiety

14 Molecular docking studies and ADMET properties of new 1.2.3 triazole derivatives for anti-breast cancer activity

15 New library of pyrazole-imidazo[1,2-α]pyridine molecular conjugates: Synthesis, antibacterial activity and molecular docking studies.

16 Novel tribenzylaminobenzolsulphonylimine based on their pyrazine and pyridazines: Synthesis, characterization, antidiabetic, anticancer, anticholinergic, and molecular docking studies.

17 Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies

18 Isatin based Schiff bases as inhibitors of $\alpha$-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies

19 Molecular Docking studies reveals Rhein from rhubarb (Rheum rhabarbarum) as a putative inhibitor of ATP-binding Cassette Super Family G member 2.

20 Novel phthalimide based analogues: design, synthesis, biological evaluation, and molecular docking studies.

21 Synthesis, in-vitro α-glucosidase inhibition, antioxidant, in-vivo antidiabetic and molecular docking studies of pyrrolidine-2,5-dione and thiazolidine-2,4-dione derivatives

22 Synthesis, Antimicrobial Activity, Structure-Activity Relationship, and Molecular Docking Studies of Indole Diketopiperazine Alkaloids.

23 1,2,3-Triazoles based 3-substituted 2-thioquinoxalines: Synthesis, anti-bacterial activities, and molecular docking studies

24 Cytotoxicity, alpha-glucosidase inhibition and molecular docking studies of hydroxamic acid chromium(III) complexes.

25 Study of the Binding Interaction between Wortmannin and Calf Thymus DNA: Multispectroscopic and Molecular Docking Studies.

26 Synthesis and molecular docking studies of potent $\alpha$-glucosidase inhibitors based on biscoumarin skeleton

27 Synthesis, in vitro biological evaluation and in silico molecular docking studies of novel β-lactam-anthraquinone hybrids.

28 Triorganotin(IV) complexes of Schiff base derived from 1,2,4-triazole moiety: Synthesis, spectroscopic investigation, DFT studies, antifungal activity and molecular docking studies

29 Discovery and evaluation of inhibitory activity and mechanism of arylcoumarin derivatives on Theileria annulata enolase by in vitro and molecular docking studies.

30 Synthesis, biological activities, and molecular docking studies of 2-mercaptobenzimidazole based derivatives.

31 Amino acids conjugated quinazolinone-Schiff's bases as potential antimicrobial agents: Synthesis, SAR and molecular docking studies.

32 Synthesis and molecular docking studies of some novel Schiff bases incorporating 6-butylquinolinedione moiety as potential topoisomerase IIβ inhibitors.

33 Synthesis, antitumor evaluation, and molecular docking studies of indole–indazolyl hydrazide–hydrazone derivatives

34 Design, synthesis, in vitro antimicrobial evaluation and molecular docking studies of indol-2-one tagged with morpholinosulfonyl moiety as DNA gyrase inhibitors.

35 An efficient synthetic approach toward a sporadic heterocyclic scaffold: 1,3-Oxathiol-2-ylidenes; alkaline phosphatase inhibition and molecular docking studies.

36 Molecular Docking Studies, In silico ADMET Screening of Some Novel Thiazolidine Substituted Oxadiazoles as Sirtuin 3 Activators Targeting Parkinson's Disease

37 Synthesis, alpha-Glucosidase, Thymidine phosphorylase, Lipoxygenase Inhibitory Potentials of Thiobarbituric acid analogues and their Molecular docking studies

38 flavonoids from sideritis species: human monoamine oxidase (hmao) inhibitory activities, molecular docking studies and crystal structure of xanthomicrol

39 synthesis, biological evaluation and molecular docking studies of ferrocene derivatives coupling with n-heterocyclic on human breast cancer

40 synthesis, anti-microbial and molecular docking studies of quinazolin-4(3h)-one derivatives

41 Unexpected synthesis, single-crystal x-ray structure, anticancer activity, and molecular docking studies of certain 2–((imidazole/benzimidazol–2–yl)thio)– 1–arylethanones

42 Antibacterial evaluation and molecular docking studies of pyrazole–thiosemicarbazones and their pyrazole–thiazolidinone conjugates

43 2-Aryl-3-(6-trifluoromethoxy)benzo[d]thiazole-based thiazolidinone hybrids as potential anti-infective agents: Synthesis, biological evaluation and molecular docking studies

44 Synthesis, characterization, antibacterial evaluation, 2D-QSAR modeling and molecular docking studies for benzocaine derivatives.

45 One-pot synthesis of novel benzimidazoles with a naphthalene moiety as antimicrobial agents and molecular docking studies

46 Searching inhibitors for three important proteins of COVID-19 through molecular docking studies

47 Searching inhibitors for three important proteins of COVID-19 through molecular docking studies