Cervical cancer is regarded as one of the major burdens noticed in women next to breast cancer. Although, human papilloma viruses (HPVs) are regarded as the principal causative agents, they require certain other factors such as oestrogen hormone to induce cervical cancer. Aromatase is an enzyme that converts androgens into oestrogens and hindering this enzyme could subsequently hamper the formation of oestrogen thereby alleviating the disease. Accordingly, in the current investigation, a structure based pharmacophore was generated considering two proteins bearing the Protein Data Bank (PDB) codes 3EQM (pharm 1) and 3S7S (pharm 2), respectively. The two models were employed as the 3D query to screen the in-house built natural compounds database. The obtained 51 compounds were escalated to molecular docking studies to decipher on the binding affinities and to predict the quintessential binding modes which were affirmed by molecular dynamics (MD) simulations. The compound has induced dose-dependent down regulation of PP2B, Nitric oxide synthase-2 (NOS2), and Interleukin 6 (IL-6) genes in the HeLa cells and has modulated the expression of apoptotic genes such as Bax, Bcl2, and caspases-3 at different concentrations. These results guide us to comprehend that the identified aromatase inhibitor was effective against the cervical cancer cells and additionally could server as scaffolds in designing new drugs.

Cancer is caused by genetic changes controlling cell progression and differentiation. These changes are unregulated when tumours advance and acquire invasive and metastatic capacities due to the innate biologic characteristics of the cancer cell. In vivo and in vitro models show that these molecular changes are crucial for tumour development and survival. These molecular changes can be used to develop pristine cancer treatments. New methodological molecules are being developed to identify cancer-specific modifications in proteins, DNA, and RNA, as well as molecular distinctions between healthy and cancer cells. This approach enables effective early detection, precise diagnosis, and quick cancer therapy. DNA microarray techniques have been developed for identifying cancer-associated mutations and gene profiles. Molecular cancer diagnostics need improvement alongside advances in genomics, precision medicine, and immunotherapy. This chapter discusses different molecular diagnostics in the evaluation of cancers.