Early Pub

Volume: 10 Issue: 2

Year: 2026

Research Article

Research Article

1. Computational Analysis on SGLT-2 Receptor and Antidiabetic Effect of White Frangipani Flower Extract (Plumeria acuminata L.) and Red Frangipani Flower (Plumeria rubra L.) through In vivo Test

Nikeherpianti Lolok , Putu Sintya Permani , Dita Rachmawati , Yopi Bil Keysin , Dwi Syah Fitra Ramadhan

Page : 1-19

Review

2. The Role of Quantum and Molecular Mechanics in Drug Design: Advanced Hybrid Techniques for Enhanced Therapeutic Precision.

Mohammed Hasan , Aya Mohammed

Page : 20-39

Research Article

3. Spectroscopic analysis, chemical reactivity, and nonlinear optical properties of (Z)-3-N-(methyl)-2-N’-(4-methoxyphenylimino) Thiazolidin-4-one: DFT/TD-DFT approach

Mansour Azayez , Youcef Megrouss , Yahıaouı Salem , Rachida Rahmani , Sid Ahmed Kaas , Zohra Douaa Benyahlou , Boukabcha Nourdine , Bouhadda Youcef , Abdelkader Chouaih

Page : 40-53

Research Article

4. Molecular Docking, Dynamics Simulation and ADMET Prediction of Harmicine Derivatives as Plasmodial Falcipain-2 Inhibitors

Muhammad Aswad

Page : 54-65

Research Article

5. Computational Insights into the Structure and Mechanism of Encapsulating Mangostin Derivatives in Crystalline Cucurbituril Architectures to Improve Solubility

Nurisyah Nurisyah , Asyhari Asyikin , Dwi Syah Fitra Ramadhan , Ratnasari Dewi , Sri Angriani , Cahirunnimah Cahirunnimah , Sunarto Sunarto , Taufik Muhamamd Fakih

Page : 66-80

Research Article

6. STANDARD ENTHALPIES OF FORMATION OF ORTHO- AND META-SUBSTITUTED PHENYL NITROSO OXIDES FROM HOMODESMOTIC AND G4 MEASUREMENTS

Sergey Khursan , Aidar Yarullin

Page : 81-93

Research Article

7. Identification of 2-(piperazine _1_yl) _H_benzo[d] imidazole derivatives as a potent EGFR inhibitor by Virtual Screening and Molecular Dynamic Simulation

Samer Jasim , Amani Amer Tawfeeq , Wathiq Al-hachami , Monther Faisal

Page : 94-103

Journal Full Title: Turkish Computational and Theoretical Chemistry


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