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Title: :  in silico molecular docking studies
PaperId: :  25284
Published in:   International Journal Of Advance Research And Innovative Ideas In Education
Publisher:   IJARIIE
e-ISSN:   2395-4396
Volume/Issue:    Volume 10 Issue 6 2024
DUI:    16.0415/IJARIIE-25284
Licence: :   IJARIIE is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

Author NameAuthor Institute
Sanket singhMinerva college of pharmacy
HappyMinerva college of pharmacy
Kapil kumar VermaMinerva college of pharmacy

Abstract

Pharmaceutical Chemistry
Drug Designing, Molecular docking Docking Parameter, Approches of Molecular docking
Molecular docking is a pivotal computational technique in drug design, aimed at predicting the optimal binding orientation of ligands to target proteins. This process not only elucidates protein-ligand interactions but also facilitates virtual screening, which accelerates the identification of lead compounds from extensive chemical libraries. With advances in structural biology, including X-ray crystallography and NMR, the availability of three-dimensional protein structures has enhanced the accuracy of docking simulations. The technique can be classified into rigid and flexible docking, addressing molecular dynamics during binding. Additionally, it encompasses covalent docking methods to assess ligands that form permanent interactions with targets. As molecular modeling evolves, docking approaches continue to integrate machine learning and high-throughput methods, enhancing efficiency in drug discovery. This comprehensive exploration of molecular docking underscores its significance in unraveling complex biological interactions and fostering innovative therapeutic developments.

Citations

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IJARIIE Sanket singh, Happy, and Kapil kumar Verma. "in silico molecular docking studies" International Journal Of Advance Research And Innovative Ideas In Education Volume 10 Issue 6 2024 Page 657-666
MLA Sanket singh, Happy, and Kapil kumar Verma. "in silico molecular docking studies." International Journal Of Advance Research And Innovative Ideas In Education 10.6(2024) : 657-666.
APA Sanket singh, Happy, & Kapil kumar Verma. (2024). in silico molecular docking studies. International Journal Of Advance Research And Innovative Ideas In Education, 10(6), 657-666.
Chicago Sanket singh, Happy, and Kapil kumar Verma. "in silico molecular docking studies." International Journal Of Advance Research And Innovative Ideas In Education 10, no. 6 (2024) : 657-666.
Oxford Sanket singh, Happy, and Kapil kumar Verma. 'in silico molecular docking studies', International Journal Of Advance Research And Innovative Ideas In Education, vol. 10, no. 6, 2024, p. 657-666. Available from IJARIIE, https://ijariie.com/AdminUploadPdf/in_silico_molecular_docking_studies_ijariie25284.pdf (Accessed : ).
Harvard Sanket singh, Happy, and Kapil kumar Verma. (2024) 'in silico molecular docking studies', International Journal Of Advance Research And Innovative Ideas In Education, 10(6), pp. 657-666IJARIIE [Online]. Available at: https://ijariie.com/AdminUploadPdf/in_silico_molecular_docking_studies_ijariie25284.pdf (Accessed : )
IEEE Sanket singh, Happy, and Kapil kumar Verma, "in silico molecular docking studies," International Journal Of Advance Research And Innovative Ideas In Education, vol. 10, no. 6, pp. 657-666, Nov-Dec 2024. [Online]. Available: https://ijariie.com/AdminUploadPdf/in_silico_molecular_docking_studies_ijariie25284.pdf [Accessed : ].
Turabian Sanket singh, Happy, and Kapil kumar Verma. "in silico molecular docking studies." International Journal Of Advance Research And Innovative Ideas In Education [Online]. volume 10 number 6 ().
Vancouver Sanket singh, Happy, and Kapil kumar Verma. in silico molecular docking studies. International Journal Of Advance Research And Innovative Ideas In Education [Internet]. 2024 [Cited : ]; 10(6) : 657-666. Available from: https://ijariie.com/AdminUploadPdf/in_silico_molecular_docking_studies_ijariie25284.pdf
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