Molecular Docking: An Emerging Tool for Target-Based Cancer Therapy DOI

Pavithra Uppathi,

Suraj Rajakumari,

K. V. Saritha

и другие.

Critical Reviews™ in Oncogenesis, Год журнала: 2024, Номер 30(1), С. 1 - 13

Опубликована: Окт. 4, 2024

Molecular docking is a structure-based computational technique that plays major role in drug discovery. enhances the efficacy of determining metabolic interaction between two molecules, i.e., small molecule (ligand) and target (protein), to find best orientation ligand its with minimal free energy forming stable complex. By stimulating drug-target interactions, helps identify molecules might inhibit cancer-promoting proteins, aiding development novel targeted therapies. enables researchers screen vast reorganization, identifying potential anti-cancer drugs enhanced specificity reduced toxicity. The growing importance molecular underscores revolutionize cancer treatment by accelerating identification improving clinical outcomes. As wide approach, this design can be considered more effective timesaving than other methods. In review, we showcase brief information on research for discovery identification. Therefore, recent years, it concluded scrutinized as one strategies at leading edge cancer-targeting

Язык: Английский

Molecular Docking: An Emerging Tool for Target-Based Cancer Therapy DOI

Pavithra Uppathi,

Suraj Rajakumari,

K. V. Saritha

и другие.

Critical Reviews™ in Oncogenesis, Год журнала: 2024, Номер 30(1), С. 1 - 13

Опубликована: Окт. 4, 2024

Molecular docking is a structure-based computational technique that plays major role in drug discovery. enhances the efficacy of determining metabolic interaction between two molecules, i.e., small molecule (ligand) and target (protein), to find best orientation ligand its with minimal free energy forming stable complex. By stimulating drug-target interactions, helps identify molecules might inhibit cancer-promoting proteins, aiding development novel targeted therapies. enables researchers screen vast reorganization, identifying potential anti-cancer drugs enhanced specificity reduced toxicity. The growing importance molecular underscores revolutionize cancer treatment by accelerating identification improving clinical outcomes. As wide approach, this design can be considered more effective timesaving than other methods. In review, we showcase brief information on research for discovery identification. Therefore, recent years, it concluded scrutinized as one strategies at leading edge cancer-targeting

Язык: Английский

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