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(S)-N-(4-Carbamoylphenyl)-8-Cyclopropyl-7-(Naphthalen-1-ylmethyl)-5-Oxo-2,3-Dihydro-5H-Thiazolo[3,2-a]Pyridine-3-Carboxamide, A Better Inhibitor of SARS-Cov-2 Spike Glycoprotein Than Some Standard Drugs: A Computational Prediction
(S)-N-(4-Carbamoylphenyl)-8-Cyclopropyl-7-(Naphthalen-1-ylmethyl)-5-Oxo-2,3-Dihydro-5H-Thiazolo[3,2-a]Pyridine-3-Carboxamide, A Better Inhibitor of SARS-Cov-2 Spike Glycoprotein Than Some Standard Drugs: A Computational Prediction

Emmanuel Israel Edache; Adamu Uzairu; Paul Andrew Mamza; Gideon Adamu Shallangwa

Articles in Press, Accepted Manuscript, Available Online from 14 November 2022

https://doi.org/10.22034/ajca.2023.362410.1333

Abstract
  The appearance of severe acute respiratory syndrome coronavirus 2 (COVID-19) is at its peak; with the growing number of people infected with COVID-19, there is an urgent need to find ...  Read More
A 2-D QSAR Modeling, Molecular Docking Study and Design of 2-Arylbenzimidazole Derivatives as Novel Leishmania Inhibitors: A Molecular Dynamics Study
A 2-D QSAR Modeling, Molecular Docking Study and Design of 2-Arylbenzimidazole Derivatives as Novel Leishmania Inhibitors: A Molecular Dynamics Study

Fabian Audu Ugbe; Gideon Adamu Shallangwa; Adamu Uzairu; Ibrahim Abdulkadir

Articles in Press, Accepted Manuscript, Available Online from 29 November 2022

https://doi.org/10.22034/ajca.2023.365873.1337

Abstract
  Leishmaniasis, a neglected tropical disease, affects a human population of over 12 million people, mainly in the tropics, and is caused by the leishmanial parasites transmitted by the ...  Read More
Exploration of Anticancer Potential of Novel Pyrrolo[2,3-b]pyridine Derivatives Targeting V600E-BRAF Kinase: Molecular Docking, Pharmacokinetic and DFT Studies
Exploration of Anticancer Potential of Novel Pyrrolo[2,3-b]pyridine Derivatives Targeting V600E-BRAF Kinase: Molecular Docking, Pharmacokinetic and DFT Studies

Abdullahi Bello Umar; Adamu Uzairu

Volume 5, Issue 4 , October 2022, , Pages 271-286

https://doi.org/10.22034/ajca.2022.356191.1322

Abstract
  V600E-BRAF mutation has been detected in several malignant tumours. Developing potent V600E-BRAF inhibitors is considered an essential step in curing diverse cancer types. In this work, ...  Read More
Pharmacokinetics Studies of some Diaryl Pyrimidinamine Derivatives as Anti-Cancer Agent: In-Silico Drug Design and Molecular Docking
Pharmacokinetics Studies of some Diaryl Pyrimidinamine Derivatives as Anti-Cancer Agent: In-Silico Drug Design and Molecular Docking

Sagiru Hamza Abdullahi; Adamu Uzairu; Gideon Adamu Shallangwa; Sani Uba; Abdullahi Bello Umar

Volume 5, Issue 4 , October 2022, , Pages 320-332

https://doi.org/10.22034/ajca.2022.357747.1325

Abstract
  The cost and duration of novel drug discovery and synthesis have been the significant drawbacks to the chemotherapeutic treatment of breast cancer. To combat these challenges, a validated ...  Read More
Molecular Docking of Inhibitory Activities of Syzygium Cordatum against Mycobacterium Tuberculosis
Molecular Docking of Inhibitory Activities of Syzygium Cordatum against Mycobacterium Tuberculosis

Omolara Olubunmi Adeboye; Francis Oretayo Oyeleke; Saheed Alabi Agboluaje

Volume 5, Issue 2 , April 2022, , Pages 147-163

https://doi.org/10.22034/ajca.2022.310927.1286

Abstract
  Tuberculosis remains a significant infectious disease-causing over 1.8 million deaths a year, making it one of the world’s most deadly human pathogens. Phytochemicals from natural ...  Read More
In-Silico Design, Molecular Docking and Pharmacokinetics Studies of Some Tacrine Derivatives as Anti-Alzheimer Agents: Theoretical Investigation
In-Silico Design, Molecular Docking and Pharmacokinetics Studies of Some Tacrine Derivatives as Anti-Alzheimer Agents: Theoretical Investigation

Abduljelil Ajala; Adamu Uzairu; Gideon Adamu Shallangwa; Stephen Eyije Abechi

Volume 5, Issue 1 , January 2022, , Pages 59-69

https://doi.org/10.22034/ajca.2022.321171.1292

Abstract
  Alzheimer's disease (AD) is a neurodegenerative ailment that affects many people worldwide. Its cause has yet to be determined. One of the symptoms of AD is the loss of cholinergic ...  Read More
Investigation of Amino Chalcone Derivatives as Anti-Proliferative Agents against MCF-7 Breast Cancer Cell Lines-DFT, Molecular Docking and Pharmacokinetics Studies
Investigation of Amino Chalcone Derivatives as Anti-Proliferative Agents against MCF-7 Breast Cancer Cell Lines-DFT, Molecular Docking and Pharmacokinetics Studies

Oluwatoba Emmanuel Oyeneyin; Toluwalope Gbemileke Abayomi; Nureni Ipinloju; Eric Bamidele Agbaffa; Daniel Dada Akerele; Oluwatobiloba Amusa Arobadade

Volume 4, Issue 4 , July and August 2021, , Pages 288-299

https://doi.org/10.22034/ajca.2021.285869.1261

Abstract
  Breast cancer is one of the most lethal diseases that has resulted in many deaths in the world. Development of new compounds and repurposing of approved drugs have become very attractive ...  Read More
Synthesis and Molecular Docking Studies of Some Thiohydantoin Derivatives as Potential Anticancer and Antimicrobial Agents
Synthesis and Molecular Docking Studies of Some Thiohydantoin Derivatives as Potential Anticancer and Antimicrobial Agents

Aysha Belgasem Mezoughi †; Wanisa Abdussalam-Mohammed; Ashraf Ahmed Ali Abdusalam †

Volume 4, Issue 4 , July and August 2021, , Pages 327-338

https://doi.org/10.22034/ajca.2021.291823.1266

Abstract
  2-Thiohydantoin derivatives are most remarkably known because of their extensive applications including, hypolipidemic, anticarcinogenic, antimutagenic, antifungal, and antibacterial. ...  Read More
Evaluation of Medicinal Effects of Isoxazole Ring Isosteres on Zonisamide for Autism Treatment by Binding to Potassium Voltage-Gated Channel Subfamily D Member 2 (Kv 4.2)
Evaluation of Medicinal Effects of Isoxazole Ring Isosteres on Zonisamide for Autism Treatment by Binding to Potassium Voltage-Gated Channel Subfamily D Member 2 (Kv 4.2)

Mehdi Nabati; Vida Bodaghi-Namileh

Volume 3, Issue 4 , July and August 2020, , Pages 462-472

https://doi.org/10.33945/SAMI/AJCA.2020.4.8

Abstract
  The present research study discusses discovery of the novel drugs based on Zonisamide (FDA-approved drug) to treat the autism disease. We designed novel compounds by changing the pyrazole ...  Read More
Molecular Modeling of 3-(1,3-Dioxoisoindolin-2-yl)benzyl Nitrate and its Molecular Docking Study with Phosphodiesterase-5 (PDE5)
Molecular Modeling of 3-(1,3-Dioxoisoindolin-2-yl)benzyl Nitrate and its Molecular Docking Study with Phosphodiesterase-5 (PDE5)

Mehdi Nabati; Vida Bodaghi-Namileh

Volume 3, Issue 1 , January 2020, , Pages 58-69

https://doi.org/10.33945/SAMI/AJCA.2020.1.7

Abstract
  In this study, the electronic properties of the novel medicinal compound 3-(1,3-dioxoisoindolin-2-yl) benzyl nitrate as a treatment of sickle cell disease are obtained using density ...  Read More