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Scientific paper - Original scientific paper
High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design
In: MIPRO. IEEE, 2020. pp. 389-394. urn:nbn:hr:195:269271
Miletić, Vedran; Ašenbrener Katić, Martina; Svedružić, Željko

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Miletić, V., Ašenbrener Katić, M. & Svedružić, Ž. (2020). High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design. MIPRO (pp. 389-394). IEEE. Retrieved from https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, Vedran, et al. "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design." MIPRO, IEEE, 2020, pp. 389-394. https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, Vedran, Martina Ašenbrener Katić and Željko Svedružić. "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design." In MIPRO, 389-394. IEEE, 2020. Accessed 2024 November 14. https://urn.nsk.hr/urn:nbn:hr:195:269271

Miletić, V., Ašenbrener Katić, M. and Svedružić, Ž. (2020) 'High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design', MIPRO, IEEE, pp. 389-394. Available at: https://urn.nsk.hr/urn:nbn:hr:195:269271 (Accessed 14 November 2024)

Miletić V, Ašenbrener Katić M, Svedružić Ž. High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design. MIPRO. IEEE; 2020. Pp. 389-394. [cited 2024 November 14] Available at: https://urn.nsk.hr/urn:nbn:hr:195:269271

V. Miletić, M. Ašenbrener Katić and Ž. Svedružić, "High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design", MIPRO IEEE, 2020. [Online] Available at: https://urn.nsk.hr/urn:nbn:hr:195:269271 [Accessed: 14 November 2024]

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Metadata
Title (english)High-throughput Virtual Screening Web Service Development for SARS-CoV-2 Drug Design
AuthorVedran Miletić
MBZ: 316216
AuthorMartina Ašenbrener Katić
MBZ: 331261
AuthorŽeljko Svedružić
MBZ: 324713
Author's institutionUniversity of Rijeka
(Faculty of Informatics and Digital Technologies)
Author's institutionUniversity of Rijeka
(Faculty of Biotechnology and Drug Development)
Scientific / art field,
discipline and subdiscipline		TECHNICAL SCIENCES
Computing
Scientific / art field,
discipline and subdiscipline		SOCIAL SCIENCES
Information and Communication Sciences
Scientific / art field,
discipline and subdiscipline		INTERDISCIPLINARY AREAS OF KNOWLEDGE
Biotechnology in Biomedicine (natural science, biomedicine and healthcare, bioethics area
Abstract (english)
The available structures of viral proteins and RNA molecules related to SARS-CoV-2 are used to screen and design a new set of drugs using the commercial databases and molecular docking protocols. The selected molecules are then studied further using molecular dynamics. Based on our earlier experiences we can target proteases, enzymes in DNA and RNA metabolism, and protein—protein interactions. In this paper we describe the planned research and development efforts for efficient screening and design of new drugs. Prior to the screening campaign, we will develop new open-source computational infrastructure, with two major outcomes. A new database containing all commercially available small-molecule ligands will be developed. A docking server with a web-based user interface will be developed and interfaced with the compound database. The docking server will use the database for sourcing of the molecules for the high-throughput virtual screening. Our approach offers major advantages that can bypass the problems that have traditionally plagued the pharmaceutical industry: our protocols are faster, cheaper, versatile, and offer minimal risks. We are developing new drugs using commercial databases, which allows us to buy the lead compounds for affordable prices that can bypass expensive and slow organic synthesis protocols.
Keywords (english)
Languageenglish
Publication typeScientific paper - Original scientific paper
Publication statusPublished
Peer reviewPeer review - international
Publication versionAccepted version
Publication titleMIPRO
Numberingpp. 389-394
URN:NBNurn:nbn:hr:195:269271
Publication2020
ConferenceTitle: MIPRO
Location: Opatija, Croatia
Start date: 2020-09-28
End date: 2022-10-02
Assembly type: Lecture
Document URLhttp://bib.irb.hr/1085088
Type of resourceText
PublisherIEEE
Access conditionsOpen access
Terms of useLicence In copyright icon
Created on2022-12-16 16:26:09