Journal of Chemistry Letters

Main Subjects = Computational Chemistry

QSAR, docking and pharmacokinetic studies of 2,4-diphenyl indenol [1,2-B] pyridinol derivatives targeting breast cancer receptors

Volume 5, Issue 1, April 2024, Pages 44-57

10.22034/jchemlett.2024.424800.1146

Auwal Salisu Isa; Adamu Uzairu; umar mele Umar; Muhammad Tukur Ibrahim; Abdullahi Bello Umar

Theoretical Investigation and Design of Novel Cephalosporin Based Inhibitors of a DD-carboxypeptidase Enzyme of Salmonella typhimurium

Volume 4, Issue 1, January 2023, Pages 52-58

10.22034/jchemlett.2022.361586.1085

Ameji John; Adamu Uzairu; Gideon Adamu Shallangwa; Sani UBA

A Comparative Computational Investigation on Amantadine Adsorption on the Surfaces of Pristine, C-, Si-, and Ga-doped Aluminum Nitride Nanosheets

Volume 4, Issue 1, January 2023, Pages 66-70

10.22034/jchemlett.2023.388369.1107

Babak Mohammadi; Mohammad Reza Jalali Sarvestani

Fullerene (C20) as a sensing material for electrochemical detection of Nortriptyline: A theoretical study

Volume 3, Issue 4, November 2022, Pages 164-168

10.22034/jchemlett.2023.385007.1104

Beheshteh Ajdari; Saeid Abrahi Vahed

Venlafaxine Interaction with Fullerene (C20): DFT Studies

Volume 3, Issue 4, November 2022, Pages 169-173

10.22034/jchemlett.2023.385837.1105

Mohammad Reza Jalali Sarvestani

Adsorption of SO2 and NO2 on ZrO2 (1 1 0) Surface: Density Functional Theory and Molecular Dynamic Simulation Studies

Volume 3, Issue 3, August 2022, Pages 135-143

10.22034/jchemlett.2023.363900.1088

Ayuba Abdullahi Muhammad; Umaru Umar

Theoretical study of interaction between Mexiletine drug and pristine, Si-, Ga- and Al-doped boron nitride nano sheet.

Volume 3, Issue 3, August 2022, Pages 150-158

10.22034/jchemlett.2023.384082.1103

Mahla Mosavi

Computational investigation on interaction between graphene nanostructure BC3 and Rimantadine drug: Possible sensing study of BC3 and its doped derivatives on Rimantadine

Volume 3, Issue 2, June 2022, Pages 108-113

10.22034/jchemlett.2022.352857.1079

Ayda Karbakhshzadeh; Soma Majedi; Vahideh Abbasi

In-silico modeling of inhibitory activity and toxicity of some indole derivatives towards designing highly potent dengue virus serotype 2 NS4B inhibitors.

Volume 3, Issue 1, February 2022, Pages 46-56

10.22034/jchemlett.2022.336894.1065

Samuel NDAGHIYA Adawara; Gideon Adamu Shallangwa; Paul Andrew Mamza; Ibrahim Abdulkadir

Understanding the Interaction of glycine amino acid with graphene: An Alternative Theoretical Approach Based on Density Functional Theory

Volume 1, Issue 4, December 2020, Pages 149-154

10.22034/jchemlett.2021.266846.1014

maedeh kamel; kamal Mohammadifard

Adsorption behavior of mephentermine on the pristine and Si, Al, Ga- doped boron nitride nanosheets: DFT studies

Volume 1, Issue 4, December 2020, Pages 164-171

10.22034/jchemlett.2022.330189.1057

Mahla Mosavi

Exploring in silico drug design and pharmacokinetics study for identification of potent antidepressant agents

Volume 1, Issue 3, November 2020, Pages 111-122

10.22034/jchemlett.2021.265528.1013

Sabitu Babatunde Olasupo; Adamu Uzairu; Gideon Adamu Shallangwa; Sani Uba

Journal Archive

Volume 5 (2024)

Volume 4 (2023)

Volume 3 (2022)

Volume 2 (2021)

Volume 1 (2020)