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Machine learning-driven docking of diverse DDAs as promising cysteine protease inhibitors targeting Mpox virus.

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Title: Machine learning-driven docking of diverse DDAs as promising cysteine protease inhibitors targeting Mpox virus.
Authors: Alotaibi BS; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Al- Quwayiyah, Riyadh Saudi Arabia., Ahmad I; Central Labs, Al-Qura'a, King Khalid University, P.O. Box 960, Abha, Saudi Arabia.; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Khalid University, Abha, Saudi Arabia., Almutairy B; Department of Pharmacology, College of Pharmacy, Shaqra University, Shaqra, 11961 Saudi Arabia., Alkhammash A; Department of Pharmacology, College of Pharmacy, Shaqra University, Shaqra, 11961 Saudi Arabia., Alsaiari AA; College of Applied Medical Science, Clinical Laboratories Science Department, Taif University, Taif, Saudi Arabia., Khan K; Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, 75270 Pakistan., Burki S; Department of Pharmacology, Jinnah Sindh Medical University, Rafiqui H.J Shaheed Road, Karachi, Pakistan.
Source: In silico pharmacology [In Silico Pharmacol] 2025 Jun 09; Vol. 13 (2), pp. 85. Date of Electronic Publication: 2025 Jun 09 (Print Publication: 2025).
Publication Type: Journal Article
Journal Info: Publisher: Springer-Verlag, GmbH Country of Publication: Germany NLM ID: 101623954 Publication Model: eCollection Cited Medium: Print ISSN: 2193-9616 (Print) Linking ISSN: 21939616 NLM ISO Abbreviation: In Silico Pharmacol Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Machine learning-driven docking of diverse DDAs as promising cysteine protease inhibitors targeting Mpox virus.
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  Data: <searchLink fieldCode="AU" term="%22Alotaibi+BS%22">Alotaibi BS</searchLink>; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Shaqra University, Al- Quwayiyah, Riyadh Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Ahmad+I%22">Ahmad I</searchLink>; Central Labs, Al-Qura'a, King Khalid University, P.O. Box 960, Abha, Saudi Arabia.; Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, King Khalid University, Abha, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Almutairy+B%22">Almutairy B</searchLink>; Department of Pharmacology, College of Pharmacy, Shaqra University, Shaqra, 11961 Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alkhammash+A%22">Alkhammash A</searchLink>; Department of Pharmacology, College of Pharmacy, Shaqra University, Shaqra, 11961 Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Alsaiari+AA%22">Alsaiari AA</searchLink>; College of Applied Medical Science, Clinical Laboratories Science Department, Taif University, Taif, Saudi Arabia.<br /><searchLink fieldCode="AU" term="%22Khan+K%22">Khan K</searchLink>; Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, 75270 Pakistan.<br /><searchLink fieldCode="AU" term="%22Burki+S%22">Burki S</searchLink>; Department of Pharmacology, Jinnah Sindh Medical University, Rafiqui H.J Shaheed Road, Karachi, Pakistan.
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  Data: <searchLink fieldCode="JN" term="%22101623954%22">In silico pharmacology</searchLink> [In Silico Pharmacol] 2025 Jun 09; Vol. 13 (2), pp. 85. <i>Date of Electronic Publication: </i>2025 Jun 09 (<i>Print Publication: </i>2025).
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        Value: 10.1007/s40203-025-00374-w
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        Text: English
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      – TitleFull: Machine learning-driven docking of diverse DDAs as promising cysteine protease inhibitors targeting Mpox virus.
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              Text: 2025 Jun 09
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