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Emerging Role of Structural and Systems Biology in Anticancer Therapeutics

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Systems Biomedicine Approaches in Cancer Research

Abstract

Structural biology methods presently play a significant role in the development of new therapeutic drugs such as approaches for cancer therapies. Structural biology is fundamental for recognizing how proteins and genes function and provides us with the necessary clues to design effective cancer therapies. X-ray crystallography has been established to be a dominant instrument in an essential method for the design and development of new compounds with improved affinity and specificity. It can provide delicately complete structural information concerning the interaction of a ligand with a drug or pharmacological target. Fragment-Based Screening has emerged with X-ray Crystallography has turned into an influential screening technology, capable of providing structural information in complexes that involve low-molecular-weight compounds, although with weak binding affinities. The current drug discovery process is extremely complex and requires multidisciplinary efforts and action in cancer therapeutics. Cancer drug development and discovery are leading the way in utilizing molecular biological and genetic information for develo** medicine. In this chapter, we discuss the role of structural biology, including using X-ray crystallography and its role in drug development, with a special focus on the status of the development and discovery of cancer therapeutics. We further discussed how structural biology and systems biology are integrated and give rise to a relatively new domain called “structural systems biology.”

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Abbreviations

HTS:

High-throughput screening

FBDD:

Fragment-based drug discovery

SPR:

Surface plasmon resonance

PDB:

Protein DataBase

PKB:

Protein kinase B

CLL:

Chronic lymphocytic leukemia

TSG:

Tumor suppressor genes

MEK1:

MAP-kinase kinase 1

mTOR:

Mammalian target of rapamycin

PI3K:

Phosphatidylinositol-3 kinase

HDAC:

Histone deacetylase

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Acknowledgments

MA extends sincere thanks to the Indian Council of Medical Research for financial support (Grant No. 45/6/2020-DDI/BMS).

Declaration of Competing Interest

The authors state that they have no known competing interests that could have appeared to influence the work recognized in this chapter.

Data Availability Statement

The data that help the findings of this study are available in this chapter.

Author’s Contribution Statement

Manzar Alam: Conceptualization, Writing- Original draft preparation, Data curation, Investigation, Methodology. Ahmad Abu Turab Naqvi: Data curation, Investigation, Methodology. Md. Imtaiyaz Hassan: Conceptualization, Writing- Original draft preparation, Investigation, Supervision, project administration.

Funding

This work is funded and supported by the Indian Council of Medical Research (Grant No. 45/6/2020-DDI/BMS) and (ISRM/12(22)/2020).

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Authors and Affiliations

  1. Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India

    Manzar Alam & Md. Imtaiyaz Hassan

  2. Department of Computer Science, Jamia Millia Islamia, New Delhi, India

    Ahmad Abu Turab Naqvi

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  1. Manzar Alam
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  2. Ahmad Abu Turab Naqvi
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  3. Md. Imtaiyaz Hassan
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Correspondence to Md. Imtaiyaz Hassan .

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  1. Pathogenesis and Cellular Response, National Centre for Cell Science, Ganeshkhind, Pune, Maharashtra, India

    Shailza Singh

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Alam, M., Naqvi, A.A.T., Hassan, M.I. (2022). Emerging Role of Structural and Systems Biology in Anticancer Therapeutics. In: Singh, S. (eds) Systems Biomedicine Approaches in Cancer Research. Springer, Singapore. https://doi.org/10.1007/978-981-19-1953-4_5

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