ISSN: 2587-1722
e-ISSN: 2602-3237
Founded: 2017
Publisher: Koray SAYIN

2025 - Volume: 9 Issue: 1

Research Article

1. A Computational Approach of Anti-diabetic Potential Evaluation of Flower and Seed of Nyctanthes arbor tristis Linn

Ram Lal Swagat Shrestha , Nirmal Parajuli , Prabhat Neupane , Sujan Dhital , Binita Maharjan , Timila Shrestha , Samjhana Bharati , Bishnu Prasad Marasini , Jhashanath Adhikari Subin

Page: 1-18

Research Article

2. In silico screening, molecular dynamic simulation, and pharmacokinetic studies of new Schiff base derivatives from 2-(3-benzoylphenyl) propionic acid as tyrosyl-tRNA synthetase inhibitor

Jessica Hanna , Mazen Mohammed , Kanar M. Alawad

Page: 19-28

Research Article

3. In-silico molecular docking, ADME study, and molecular dynamic simulation of new azetidin-2-one derivatives with antiproliferative activity

Aya Ahmed , Monther Faisal

Page: 29-40

Research Article

4. Determining binding free energy by computational modelling: A theoretical approach for selection of stationary phase in chromatographic studies

Suvarna Yendurı , Shifa K M , Naga Prashant Koppuravuri

Page: 41-52

Research Article

5. CORRELATION ANALYSIS OF STRUCTURE & REACTIVITY IN THE OXIDATION OF AROMATIC ALDEHYDES BY 2-PICOLINIUM CHLOROCHROMATE

Ketul Kumawat , Anurag Choudhary , Om Prakash

Page: 53-62

Research Article

6. An in silico study of new 1-aminoquinoline-2(1H)-one derivatives as tyrosine kinase inhibitors

Sarah Jabbar , Mohammed Mohammed

Page: 63-74

Research Article

7. Discovery of new small molecules inhibitors for EphB4 receptor tyrosine kinase with a fragment-based drug design approach

Amine Ballari , Rachid Haloui , Ossama Daouı , Khaoula Mkhayar , Khadija Khaddam Allah , Samir Chtita , Abdelmoula El Abbouchi , Souad Elkhattabi

Page: 75-89

Research Article

8. DFT theoretical calculations on (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene) benzohydrazide as a methylene tetrahydrofolatereductase inhibitor: An in silico study, molecular docking, and molecular dynamics simulations

Fatima Boudjenane , Rachida Rahmani , Youcef Megrouss , Abdelkader Chouaih , Nadia Benhalima

Page: 90-114

Research Article

9. In silico Molecular Docking, Molecular Dynamic Simulation and ADME Study of New (2-Methyl Benzimidazole-1-yl)-N- Derivatives with Potential Anti-proliferative Activity

Mariam Saeb , Monther Faisal Mahdi , Foad A. Al-saady

Page: 115-128

Research Article

10. Computational Study of Potential MAO-B Inhibitors Based on 4-(3-Nitrophenyl) Thiazol-2-ylhydrazone.

Moulay Ahfid El Alaouy , Marwa Alaqarbeh , Mohamed Ouabane , Abdelouahid Sbai , Tahar Lakhlıfı , Mohammed Bouachrıne

Page: 129-156
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Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)