Zusammenfassung
Die Entdeckung neuer Arzneimittelkandidaten ist eine der herausragendsten Aufgaben in der biomedizinischen Forschung. In den letzten Jahrzehnten wurde die Allgegenwart von Computern und rechnergestützten Methoden im Arzneimittelentdeckungsprozess weit verbreitet eingesetzt. Fortschritte in der Informatik und der computergestützten Biologie haben die Produktivität im Bereich der Arzneimittelentdeckung im Gegensatz zu traditionellen Ansätzen erhöht. Traditionelle Ansätze zur Arzneimittelentdeckung basieren hauptsächlich auf In-vivo-Experimenten und In-vitro-Arzneimittel-Screening, diese Methoden sind jedoch in der Regel weniger produktiv. Bioinformatiktechniken werden verwendet, um das Verhalten von Arzneimittelkandidaten für therapeutische Aktivitäten im menschlichen Körper zu bestimmen, indem die Wechselwirkungen zwischen Arzneimitteln und Proteinen interpretiert, die Auswirkungen auf biologische Wege und Funktionen analysiert und die genomischen Varianten erläutert werden, die die Reaktion auf Arzneimittel in der Anfangsphase des Arzneimittelentdeckungsprozesses verändern können. Die computergestützte Arzneimittelentwurfsstrategie wird bevorzugt und breitflächig bei der Entwicklung von Inhibitoren gegen die signifikanten onkogenen Potenzialziele eingesetzt. Diese Strategie hat eine bedeutende Rolle bei der Entdeckung potenzieller präklinischer und klinischer Moleküle gegen tumorassoziierte Carboanhydrasen und Serin/Threonin-Kinasen zur Behandlung von Krebs gespielt. In diesem Kapitel haben wir die Rolle von bioinformatischen Ansätzen diskutiert, die umfangreich bei Screening und Entwicklung potenzieller Inhibitoren gegen Carboanhydrasen und Serin/Threonin-Kinase chemotherapeutischer Krebsziele eingesetzt werden.
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Danksagung
M. N. Peerzada ist dankbar für ein Postdoktoranden-Stipendium (Nr. 3/1/3PDF(24)/2021-HRD-6) des Indian Council of Medical Research (ICMR) New Delhi, Department of Health Research, Regierung von Indien.
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Peerzada, M.N., Rizvi, M.A., Ajeeshkumar, K.K., Sahu, A., Verma, S. (2024). Naturbasierte bioinformatische Ansätze in der Arzneimittelforschung gegen vielversprechende molekulare Ziele – Carbonanhydrasen und Serin/Threonin-Kinasen zur Krebsbehandlung. In: Raza, K. (eds) Von der Natur inspirierte intelligente Datenverarbeitungstechniken in der Bioinformatik. Springer, Singapore. https://doi.org/10.1007/978-981-99-7808-3_16
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