Early Pub

Volume: 9 Issue: 4

Year: 2025

Research Article

Research Article

1. Computational Discovery of New HDAC2 Inhibitors by High Throughput Virtual Screening, Molecular Docking, MM-GBSA, and Molecular Dynamic Simulation

Ayad Al-hamashi , Mazen Mohammed , Ali Al-samyda , Israa Kadhim Mohammed

Page : 1-14

Research Article

2. In Silico Molecular Modelling and Dynamic Simulations, ADME Parameters Predictions of new Naproxen Analogues Containing 1,3,4-Oxadiazole as Anti-inflammatory Agents

Farooq Algaragoolee , Ayad Kareem , Shakir Mahmood Alwan

Page : 15-28

Research Article

3. Kinetic DFT study of the mechanism of the [3+2] reaction of a five-membered cyclic nitrone with 2-butene isomers

Boulanouar Messaoudı

Page : 29-39

Research Article

4. Exploring the Inhibitory Potential of Podolactone B against Human Acetylcholinesterase: A Docking Study

Ashif Bahrudeen , Naveen Kumar Rajasekaran , Chetan Ashok , J Srikanth , Logeshwari B , Sivaraman Dhanasekaran , Mahendran Sekar , Ling Shing Wong , Vetriselvan Subramaniyan

Page : 40-53

Research Article

5. Investigation of the Effect of Vanillin-Based Compound Derivatives Against Breast Cancer by Molecular Docking Method and Computational Chemistry, ADMET Analysis

Özlem İşcan

Page : 54-63

Research Article

6. In Silico Molecular Docking, Molecular Dynamics Simulation, and Pharmacokinetic prediction of Novel N-(2-(4-oxo-2-phenyl quinazoline-3(4H)-yl) Derivatives with Enhanced Anti-proliferative Activity

Ali Hussein , Monther Faisal

Page : 64-77

Research Article

7. An in silico investigation of pyrazole, indazole, and imidazopyridine analogs as inhibitors for SRC tyrosine kinase, key enzyme regulating malignancies in various tumors

Rashmi P

Page : 78-105

Research Article

8. Lucilia sericata Lucifensin as a Therapeutic Inhibitor: Protein Structure Predictions and Effects on JAK Kinase and PDE-4 in Atopic Dermatitis

Sibel Kaymak , Hatice Tosyagülü Çelik , Nilufer Vural

Page : 106-116

Research Article

9. Similarity of periods and periodicity in groups of periodic tables of chemical elements: Periodic law

Isatai Nurlybayev , Bazarkhan Imangaliyeva , Gulnara Beketova , Gulsim Zhaumitova , Shynar Karassayeva

Page : 117-123
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Journal Full Title: Turkish Computational and Theoretical Chemistry


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