Main description:

Computational Methods in Drug Discovery and Repurposing for Cancer Therapy provides knowledge about ongoing research as well as computational approaches for drug discovery and repurposing for cancer therapy. The book also provides detailed descriptions about target molecules, pathways, and their inhibitors for easy understanding and applicability.

The book discusses tools and techniques such as integrated bioinformatics approaches, systems biology tools, molecular docking, computational chemistry, artificial intelligence, machine learning, structure-based virtual screening, biomarkers, and transcriptome; those are discussed in the context of different cancer types, such as colon, pancreatic, glioblastoma, endometrial, and retinoblastoma, among others.

This book is a valuable resource for researchers, students, and members of the biomedical and medical fields who want to learn more about the use of computational modeling to better tailor the treatment for cancer patients.

Contents:

1 Computational approaches for anti-cancer drug design Bassel F. El-Rayes, Ganji Purnachandra Nagaraju, Grace Burri Persis, Yuvasri Golivi, Tha Luong

2 Molecular modeling approach in cancer drug therapy Ganji Purnachandra Nagaraju, Bhavini Singh, Rishabh Rege

3 Discovery of anticancer therapeutics: Computational chemistry and artificial intelligence assisted approach Anupam Das Talukdar, Subrata Das, Deepa Nath, Manabendra Dutta Choudhury

4 Artificial intelligence in oncological therapies Ganji Purnachandra Nagaraju, Shloka Adluru

5 Approach of artificial intelligence in colorectal cancer and in precision medicine Ganji Purnachandra Nagaraju, Grace Burri Persis, Yuvasri Golivi, Tha Luong

6 Artificial intelligence in breast cancer: An opportunity for early diagnosis RamaRao Malla, Vedavathi Katneni

7 Quantitative structure- activity relationship and its application to cancer therapy Rishabh Rege

8 Structure-based virtual screening strategy for the identification of novel great wall kinase inhibitors Ampasala Dinakara Rao, Venkatesan Amouda, Anbumani Velmurugan Ilavarasi, Tulsi, Saswati Sarita Mohanty, Katike Umamahesh

9 Strategies for Drug Repurposing Arunasree M. Kalle, Aparna Vema

10 Principles of computational drug designing and drug repurposing--an algorithmic approach Angshuman Bagchi

11 Drug discovery and repositioning for glioblastoma multiforme and low-grade astrocytic tumours Asmita Dasgupta, Sanjukta Ghosh, Kastro Kalidass, Shabnam Farisha Anvar

12 Repurposing of phytocompounds-derived novel bioactive compounds possessing promising anti-cancer and cancer therapeutic efficacy through molecular docking, MD simulation and drug-likeness/ADMET studies Rajalakshmi Manikkam

13 Old drugs and new opportunities - Drug repurposing in colon cancer prevention Ramakrishna Vadde

14 Repurposing cardiac glycosides as potent immune System modulators in cancer therapy Ranjith Kumavath Sr., Honey Pavithran, Angilena Jobs

15 Systems biology tools for the identification of potential drug targets and biological markers effective for cancer therapeutics Sudha Ramaiah, Anand Anbarasu, Gayathri Ashok, P Priyamvada, Sravan Kumar Miryala

16 Role of Human Body Fluid Biomarkers in Liver Cancer: A systematic review Venkatesan Amouda, Ampasala Dinakara Rao, Dahrii Paul, Vigneshwar Surya Prakash Sinnarasan, Rajesh Das

17 Study on biomarkers in endometrial cancer using transcriptome data: A machine learning approach Venkatesan Amouda, Ampasala Dinakara Rao, Dahrii Paul, Vigneshwar Surya Prakash Sinnarasan, Rajesh Das

18 Multifaceted functions of PIWI/piRNA complex in cancer and as a therapeutic target for retinoblastoma Subbulakshmi Chidambaram, Rupa Roy, Muthuramalingam Karpagavalli, Athira Ramesh, Jayamuruga Pandian Arunachala, Sudha Rani Sadras

19 Emerging role of biosimilars: Focus on bevacizumab and hepatocellular carcinoma Anum Jalil, Sarfraz Ahmad, James Wert, Akriti Gupta Jain

20 Integrated computational approaches to aid precision medicine for cancer therapy: Present scenario and future prospects Sudha Ramaiah, Anand Anbarasu, Hithesh Kumar C.K, Sravan Kumar Miryala