Over the centuries, cancer has been considered one of the significant health threats. It holds the position in the list of deadliest diseases over the globe. In women, breast cancer is the most common among many cancers and is the second most common cancer all over the world, while lung cancer is the first. Cyclin-dependent kinase 8 (CDK8) has been identified as a critical oncogenic driver that is found in breast cancer and associated with tumor progression. Flavonoids were virtually screened against CDK8 using molecular docking, drug-likeness, ADMET prediction, and a molecular dynamics (MD) simulation approach to determine the potential flavonoid structure against CDK8. The results indicated that ZINC000005854718 showed the highest negative binding affinity of −10.7 kcal/mol with the targeted protein and passed all the drug-likeness parameters. Performed molecular dynamics simulation showed that docked complex systems have good conformational stability over 100 ns in different temperatures (298, 300, 305, 310, and 320 K). The comparison between calculated binding free energy via MM/PB(GB)SA methods and binding affinity calculated via molecular docking suggested tight binding of ZINC000005854718 with targeted protein. The results concluded that ZINC000005854718 has drug-like properties with tight and stable binding with the targeted protein.

Tinospora cordifolia and Actinidia deliciosa are the widely used plant in Ayurvedic systems of medicine. Both plants are well known for their immunomodulatory activity. In the current study, in silico exploration was performed using advanced computational techniques such as molecular docking and molecular dynamics simulation approach. Bioactive molecules from the Tinospora cordifolia and Actinidia deliciosa were docked against the Human IL-2. Out of all the docked bioactive molecules, Pygenic acid-B (PubChem CID:146157192) showed the highest negative binding affinity.

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The skin is one of the largest organ of the body. The skin plays the role to boost innate immunity and protect us from the external environment. There is constant wear and tear of the skin resulting in disorders that are uncomfortable and cause chronic disabilities. Vitiligo is one of the 'idiopathic' acquired depigmenting disorders resulting in the loss of functional melanocytes from the epidermis. Thus, there is a need for time to study the pathogenesis and its types. Vitiligo results in a patchy loss of skin pigmentation due to immune attacks on melanocytes.As vitiligo is divided into two major types that are non-segmental and segmental, its line of treatment has become simple. Thus, this review article deals with the classication, and line of treatments such as photochemotherapy, herbal, traditional,and homeopathy for vitiligo