Volume 6 (2023)
Volume 5 (2022)
Volume 4 (2021)
Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Keywords = Molecular docking
Number of Articles: 12
A Search for Novel Antidiabetic Agents Using Ligand-Based Drug Design and Molecular Docking Studies Employing Human Intestinal Maltase-Glucoamylase as Model Enzyme
Volume 6, Issue 2 , April 2023, , Pages 155-171
Abstract
This study employed quantitative structure-activity relationship (QSAR) to predict the inhibitory activities of N-(alkyl/aryl)-2-chloro-4-nitro-5-[(4-nitrophenyl) sulfamoyl] benzamide ... Read More![(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](data/ajcsa/coversheet/21668447927.jpg)
(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
Volume 6, Issue 1 , January 2023, , Pages 17-30
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
Volume 6, Issue 1 , January 2023, , Pages 50-64
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
Microbial Iron Chelators: A Possible Adjuncts for Therapeutic Treatment of SARS-CoV-2 like Viruses
Volume 6, Issue 1 , January 2023, , Pages 65-70
Abstract
There is a need for targeted, effective antiviral therapeutic treatment for the global threat of COVID-19, like viral pandemics. Our efforts in this direction present the in-silico ... Read More![Exploration of Anticancer Potential of Novel Pyrrolo[2,3-b]pyridine Derivatives Targeting V600E-BRAF Kinase: Molecular Docking, Pharmacokinetic and DFT Studies](data/ajcsa/coversheet/971662744258.jpg)
Exploration of Anticancer Potential of Novel Pyrrolo[2,3-b]pyridine Derivatives Targeting V600E-BRAF Kinase: Molecular Docking, Pharmacokinetic and DFT Studies
Volume 5, Issue 4 , October 2022, , Pages 271-286
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
Volume 5, Issue 4 , October 2022, , Pages 320-332
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
Volume 5, Issue 2 , April 2022, , Pages 147-163
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
Volume 5, Issue 1 , January 2022, , Pages 59-69
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
Volume 4, Issue 4 , July and August 2021, , Pages 288-299
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
Volume 4, Issue 4 , July and August 2021, , Pages 327-338
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)
Volume 3, Issue 4 , July and August 2020, , Pages 462-472
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)
Volume 3, Issue 1 , January 2020, , Pages 58-69