Early Pub

Volume: 9 Issue: 3

Year: 2025

Research Article

Research Article

1. DESIGN AND DISCOVERY OF LOPHINE DERIVATIVES AS MULTI-TARGETING AGENTS BY MOLECULAR DOCKING, ADMET, MD SIMULATION AND PHARMACOPHORE ANALYSIS: A COMPUTATIONAL APPROACH

Pujan Sasmal , Shyamal Kumar Biswas , Akash Koley , Rimpa Jana , Jagrity Biswas

Page : 1-24

Research Article

2. CRISPR-Cas Single-Guide RNA Construction for Tail Fiber Gene Gp0047 of Salmonella Phage SSE-121

Erlia Narulita , Annisyah Nurmitha Oktarina , Rina B. Opulencia , Agung Haris Widianto , Riska Ayu Febrianti , Hardian Susilo Addy

Page : 25-37

Research Article

3. Study of the structure of atomics by the method of electron scattering in the distorted-wave approximation: Atomic energy

M.m. Mirteimour , Mina Aliyeva

Page : 38-44

Research Article

4. Virtual screening, Molecular Docking, Molecular Dynamic and ADME of new pyrazole derivatives as anticancer

Ameer Alamiri , Basma M Abd Razik , Noor Aldabagh

Page : 45-56

Research Article

5. Theoretical investigations, Molecular Docking, ADMET analysis, Molecular Dynamic Simulation, and Drug-Likeness Scoring of (E)-1-[2-(3,4-Dimethylphenyl) Diazen-2-Ium-1-Yl] Naphthalen-2-Olate as a Corticosteroid Side-Chain-Isomerase Inhibitor

Youcef Megrouss , Souheyla Chetioui , Chafika Farah Kaouche , Yahıaouı Salem , Khaled Drim , Zohra Douaa Benyahlou , Mansour Azayez , Sid Ahmed Kaas , Mokhtaria Drıssı , Abdelkader Chouaih

Page : 57-78

Research Article

6. Investigation of the FrH+ Alkali Hydride Cation: Analysis of Potential Energies, Dipole Functions, and Radiative Lifetimes

Chedli Ghanmi , Hamid Berriche

Page : 79-88

Research Article

7. Molecular Dynamic Simulation Study of Newly Cytotoxic 2-(Aminomethyl)Benzimidazole Derivatives as Tyrosine Kinase Inhibitors

Suhair Al-sultan , Mohammed Hassan , Wamidh Talib

Page : 89-97

Research Article

8. Computational Evaluation of Molecular Docking and Molecular Dynamic, Study of New Acyloxyalkyl Carbamates Prodrug Derivatives of Fluoxetine

İsraaa Alhariri , Mohammed Dheyaa Hamdi , Ali Rasool Mahmood Albakaa

Page : 98-111

Journal Full Title: Turkish Computational and Theoretical Chemistry


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