scholarly journals Graphene: the magic carbon derived biological weapon for human welfare

2021 ◽  
pp. 9-17
Author(s):  
Arnob Chakrovorty ◽  
◽  
Banani Bhattacharjee ◽  
Rishita Dey ◽  
Asmita Samadder ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Disease Management ◽  
Chemical Form ◽  
Biological Weapon ◽  
Therapeutic Tool ◽  
Human Welfare ◽  
Etiologic Role ◽  
Anti Cancer ◽  
Drug Designing

Graphene plays an etiologic role for the new edge drug designing in the area of therapeutic management of myriads of diseases. Several researchers have experimentally validated the use of graphene and its derivative either in chemical form or in their nano-form to provide a longer and better life to the patients suffering from cancer, diabetes, etc. In this review, we have tried to focus on the literature to understand molecular docking-based role of graphene as an anti-cancer and anti-diabetic therapeutic tool which is very pertinent in the extensive arena of pharmacology, from pharmacovigilance to pharmacodynamics and kinetics, that ameliorates and concords with the modern scientific approaches of disease management.

Role of Molecular Docking in Computer-Aided Drug Design and Development

2016 ◽  
pp. 1-28
Author(s):  
Rahul Agarwal ◽  
Ashutosh Singh ◽  
Subhabrata Sen
Keyword(s):  
Molecular Docking ◽  
Drug Design ◽  
Protein Binding ◽  
Design And Development ◽  
Advantages And Disadvantages ◽  
Computer Aided ◽  
Drug Designing ◽  
Near Future

Molecular Docking is widely used in CADD (Computer-Aided Drug Designing), SBDD (Structure-Based Drug Designing) and LBDD (Ligand-Based Drug Designing). It is a method used to predict the binding orientation of one molecule with the other and used for any kind of molecule based on the interaction like, small drug molecule with its protein target, protein – protein binding or a DNA – protein binding. Docking is very much popular technique due to its reliable prediction properties. This book chapter will provide an overview of diverse docking methodologies present that are used in drug design and development. There will be discussion on several case studies, pertaining to each method, followed by advantages and disadvantages of the discussed methodology. It will typically aim professionals in the field of cheminformatics and bioinformatics, both in academia and in industry and aspiring scientists and students who want to take up this as a profession in the near future. We will conclude with our opinion on the effectiveness of this technology in the future of pharmaceutical industry.

scholarly journals Role of Molecular Docking in Computer-Aided Drug Design and Development

2017 ◽  
pp. 683-710
Author(s):  
Rahul Agarwal ◽  
Ashutosh Singh ◽  
Subhabrata Sen
Keyword(s):  
Molecular Docking ◽  
Drug Design ◽  
Protein Binding ◽  
Design And Development ◽  
Advantages And Disadvantages ◽  
Computer Aided ◽  
Drug Designing ◽  
Near Future

Molecular Docking is widely used in CADD (Computer-Aided Drug Designing), SBDD (Structure-Based Drug Designing) and LBDD (Ligand-Based Drug Designing). It is a method used to predict the binding orientation of one molecule with the other and used for any kind of molecule based on the interaction like, small drug molecule with its protein target, protein – protein binding or a DNA – protein binding. Docking is very much popular technique due to its reliable prediction properties. This book chapter will provide an overview of diverse docking methodologies present that are used in drug design and development. There will be discussion on several case studies, pertaining to each method, followed by advantages and disadvantages of the discussed methodology. It will typically aim professionals in the field of cheminformatics and bioinformatics, both in academia and in industry and aspiring scientists and students who want to take up this as a profession in the near future. We will conclude with our opinion on the effectiveness of this technology in the future of pharmaceutical industry.

Molecular Docking Based Study and Analysis of Phytochemicals with TNF-α in Search of Anti-Inflammatory and Anticancer Agents

2020 ◽  
Vol 5 (2) ◽  
pp. 109-112
Author(s):  
Debjani Dasgupta ◽  
Manan Desai ◽  
Shubham Waichal ◽  
Pramodkumar P. Gupta
Keyword(s):  
Molecular Docking ◽  
Ferulic Acid ◽  
Anticancer Agents ◽  
Mode Of Action ◽  
Docking Studies ◽  
Tnf Α ◽  
Anti Cancer ◽  
Anti Inflammatory ◽  
Vinyl Phenol

This study has investigated the possible mode of action of several phytochemicals known to possess anti-inflammatory and anti-cancer properties. It was found by molecular docking studies that ferulic acid, gallic acid, pcoumaric acid, vanillin, myrecene, 4-vinyl phenol and catechol interacted with the binding sight of TNF-α which is the chief regulator of inflammation. This study suggest a possible role of these phytochemicals as anticancer and anti-inflammatory agents.

Resveratrol: A new potential therapeutic agent for melanoma?

2019 ◽  
Vol 26 ◽  
Author(s):  
Mohamad Hossein Pourhanifeh ◽  
Kazem Abbaszadeh-Goudarzi ◽  
Mohammad Goodarzi ◽  
Sara G.M. Piccirillo ◽  
Alimohammad Shafiee ◽  
...  
Keyword(s):  
Quality Of Life ◽  
Therapeutic Agent ◽  
Current Knowledge ◽  
Treatment Resistance ◽  
Anti Cancer ◽  
Apoptosis Inducer ◽  
Life Threatening ◽  
First Time

: Melanoma is the most life-threatening and aggressive class of skin malignancies. The incidence of melanoma has steadily increased. Metastatic melanoma is greatly resistant to standard anti-melanomatreatments such as chemotherapy, and 5-year survival rate of cases with melanoma who have metastatic form of disease is less than 10%. The contributing role of apoptosis, angiogenesis and autophagy in the pathophysiology of melanoma has been previously demonstrated. Thus, it is extremely urgent to search for complementary therapeutic approachesthat couldenhance the quality of life of subjects and reduce treatment resistance and adverse effects. Resveratrol, known as a polyphenol component present in grapes and some plants, has anti-cancer properties due to its function as an apoptosis inducer in tumor cells, and anti-angiogenic agent to prevent metastasis. However, more clinical trials should be conducted to prove resveratrol efficacy. : Herein, for first time, we summarize current knowledge of anti-cancerous activities of resveratrol in melanoma.

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