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Computer-Aided Antifungal Drug Design: Potential N-Myristoyltransferase (NMT) Inhibitors of Candida albicans - Softcover

Dabade, Sapna Jain; Mandloi, Dheeraj; Bajaj, A. V.

 
9786630121810: Computer-Aided Antifungal Drug Design: Potential N-Myristoyltransferase (NMT) Inhibitors of Candida albicans
Softcover
ISBN 10: 6630121813 ISBN 13: 9786630121810
Verlag: LAP LAMBERT Academic Publishing, 2026

Inhaltsangabe

The book presents an integrated computational approach for antifungal drug discovery targeting N-myristoyltransferase (NMT) in Candida albicans, a promising therapeutic target against antifungal resistance. It highlights the application of computer-aided drug design (CADD) techniques, particularly QSAR modeling using Genetic Algorithm-Stepwise Multiple Linear Regression (GA-SMLR) and molecular docking studies, to identify and optimize novel NMT inhibitors. The study evaluates bisamidine, coumarin, and triazole derivatives, revealing key molecular descriptors, structural features, and binding interactions responsible for antifungal activity. Rigorous internal and external validation ensures the statistical robustness and predictive reliability of the QSAR models. By combining structure-activity relationships with protein-ligand interaction analysis, the book provides valuable insights into rational drug design, lead optimization, and antifungal therapeutic development. It serves as a practical resource for researchers and students in medicinal chemistry, pharmaceutical sciences, computational biology, and antifungal drug discovery.

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Über die Autorin bzw. den Autor

Dr. Sapna Jain Dabade (SAGE University) specializes in AI, computational drug design, sustainability, innovation and interdisciplinary research.Dr. Dheeraj Mandloi (IET-DAVV) is an expert in applied chemistry and a mentor in the field of research. Prof. (Dr.) Amrit Lal Bajaj (DAVV) is a distinguished chemist, mentor, and academic leader.

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Verlag
LAP LAMBERT Academic Publishing
Erscheinungsdatum
2026
Sprache
Englisch
ISBN 10 
6630121813
ISBN 13 
9786630121810
Einband
Taschenbuch
Anzahl der Seiten
188
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
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