In Silico

In silico identification for potential hits has become a well-liked approach in computer-aided drug discovery. This approach is in a position to narrow down the search of potential lead compound from an enormous number of compound databases to pick potential hits by using high-throughput molecular docking; or to elucidate the mechanistic interaction of potential hits which helps in rationalisation or optimisation of bioactivity. during this review, we highlight the appliance of molecular docking approach within the development of novel inhibitors, using potential antivirals for dengue diseases as examples. Structural and non-structural proteins like Envelope, Capsid, NS1, NS2B/NS3, NS3 Helicase, NS4 and NS5 that served as potential dengue targets are discussed individually in line with their potential inhibitors discovered via this in silico approach. additionally , future trend and direction of in silico hit identification, rationalisation or optimisation for dengue drug targets also are discussed.

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Relevant Topics in Immunology & Microbiology