Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Vishal B Siramshetty"'
Publikováno v:
Pharmaceutics, Vol 16, Iss 10, p 1257 (2024)
Objectives: Pharmacokinetic issues were the leading cause of drug attrition, accounting for approximately 40% of all cases before the turn of the century. To this end, several high-throughput in vitro assays like microsomal stability have been develo
Externí odkaz:
https://doaj.org/article/584a938732b645b5adf4af3147c4f2f2
Autor:
Rintaro Kato, Wenyu Zeng, Vishal B. Siramshetty, Jordan Williams, Md Kabir, Natalie Hagen, Elias C. Padilha, Amy Q. Wang, Ewy A. Mathé, Xin Xu, Pranav Shah
Publikováno v:
Frontiers in Pharmacology, Vol 14 (2023)
Efficiently circumventing the blood-brain barrier (BBB) poses a major hurdle in the development of drugs that target the central nervous system. Although there are several methods to determine BBB permeability of small molecules, the Parallel Artific
Externí odkaz:
https://doaj.org/article/f2af9b80c1964c48b71ae481314f0507
Autor:
Pranav Shah, Vishal B. Siramshetty, Alexey V. Zakharov, Noel T. Southall, Xin Xu, Dac-Trung Nguyen
Publikováno v:
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-14 (2020)
Abstract Over the last few decades, chemists have become skilled at designing compounds that avoid cytochrome P (CYP) 450 mediated metabolism. Typical screening assays are performed in liver microsomal fractions and it is possible to overlook the con
Externí odkaz:
https://doaj.org/article/1625cd47c9774f6a95d3d18250ef445d
Autor:
Lars Juhl Jensen, Dimitrios Metaxatos, Biju Mathew, Gergely Zahoranszky-Kohalmi, Tim Mierzwa, Samuel G. Michael, Ewy Mathé, Alexander G. Godfrey, Praveen Kumar, Reid Simon, Tudor I. Oprea, Matthew D. Hall, Busola Grillo, Mark Backus, Laura Brovold, Ivan Grishagin, Manideep Gurumurthy, Jordi Mestres, Vishal B. Siramshetty
Publikováno v:
Zahoránszky-Kőhalmi, G, Siramshetty, V B, Kumar, P, Gurumurthy, M, Grillo, B, Mathew, B, Metaxatos, D, Backus, M, Mierzwa, T, Simon, R, Grishagin, I, Brovold, L, Mathé, E A, Hall, M D, Michael, S G, Godfrey, A G, Mestres, J, Jensen, L J & Oprea, T I 2022, ' A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research ', Journal of Chemical Information and Modeling, vol. 62, no. 3, pp. 718-729 . https://doi.org/10.1021/acs.jcim.1c00431
bioRxiv
article-version (status) pre
article-version (number) 1
bioRxiv
article-version (status) pre
article-version (number) 1
MotivationIn the event of an outbreak due to an emerging pathogen, time is of the essence to contain or to mitigate the spread of the disease. Drug repositioning is one of the strategies that has the potential to deliver therapeutics relatively quick
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::648afadd992dce6bf02fee25d5c5f354
https://doi.org/10.1021/acs.jcim.1c00431
https://doi.org/10.1021/acs.jcim.1c00431
Autor:
Keith J Kelleher, Timothy K Sheils, Stephen L Mathias, Jeremy J Yang, Vincent T Metzger, Vishal B Siramshetty, Dac-Trung Nguyen, Lars Juhl Jensen, Dušica Vidović, Stephan C Schürer, Jayme Holmes, Karlie R Sharma, Ajay Pillai, Cristian G Bologa, Jeremy S Edwards, Ewy A Mathé, Tudor I Oprea
Publikováno v:
Kelleher, K J, Sheils, T K, Mathias, S L, Yang, J J, Metzger, V T, Siramshetty, V B, Nguyen, D-T, Jensen, L J, Vidovic, D, Schurer, S C, Holmes, J, Sharma, K R, Pillai, A, Bologa, C G, Edwards, J S, Mathe, E A & Oprea, T 2023, ' Pharos 2023 : an integrated resource for the understudied human proteome ', Nucleic Acids Research, vol. 51, no. D1, gkac1033, pp. D1405-D1416 . https://doi.org/10.1093/nar/gkac1033
The Illuminating the Druggable Genome (IDG) project aims to improve our understanding of understudied proteins and our ability to study them in the context of disease biology by perturbing them with small molecules, biologics, or other therapeutic mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d65450ea96a731b4d232b473fbf4326
https://curis.ku.dk/portal/da/publications/pharos-2023(f032f17b-c49b-4c10-9eb3-36e30874c00f).html
https://curis.ku.dk/portal/da/publications/pharos-2023(f032f17b-c49b-4c10-9eb3-36e30874c00f).html
Autor:
Eugene N. Muratov, Sankalp Jain, Marc C. Nicklaus, Nicole Kleinstreuer, Alexey V. Zakharov, Vishal B. Siramshetty, Anton Simeonov, Alexander Tropsha, Vinicius M. Alves
Publikováno v:
J Chem Inf Model
Computational methods to predict molecular properties regarding safety and toxicology represent alternative approaches to expedite drug development, screen environmental chemicals, and thus significantly reduce associated time and costs. There is a s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e85f32be04b32862c91e77056eec9075
https://doi.org/10.1021/acs.jcim.0c01164
https://doi.org/10.1021/acs.jcim.0c01164
Autor:
Alexey V. Zakharov, Vishal B. Siramshetty, Natalia J. Martinez, Noel Southall, Dac-Trung Nguyen, Anton Simeonov
Publikováno v:
Journal of Chemical Information and Modeling. 60:6007-6019
The rise of novel artificial intelligence (AI) methods necessitates their benchmarking against classical machine learning for a typical drug-discovery project. Inhibition of the potassium ion channel, whose alpha subunit is encoded by the human ether
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2216ef035ec317257aa5dee60a588842
https://doi.org/10.1021/acs.jcim.0c00884
https://doi.org/10.1021/acs.jcim.0c00884
Autor:
Kyeong Ri Yu, Edward H. Kerns, Xin Xu, Kabir, Jorge Neyra, Pranav Shah, Ðắc-Trung Nguyễn, Vishal B. Siramshetty, Noel Southall, Jordan Williams, Kimloan Nguyen
Publikováno v:
Scientific Reports, Vol 10, Iss 1, Pp 1-14 (2020)
Scientific Reports
Scientific Reports
Hepatic metabolic stability is a key pharmacokinetic parameter in drug discovery. Metabolic stability is usually assessed in microsomal fractions and only the best compounds progress in the drug discovery process. A high-throughput single time point
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8aacd28e4f1a00cd23951eb0d3fa2fdf
http://link.springer.com/article/10.1038/s41598-020-77327-0
http://link.springer.com/article/10.1038/s41598-020-77327-0
Autor:
Tyler Peryea, Noel Southall, Ewy Mathé, Oleg Stroganov, Ivan Grishagin, Daniel Katzel, Vishal B. Siramshetty, Ajit Jadhav, Yulia Skovpen, Ðắc-Trung Nguyễn, Timothy Sheils
Publikováno v:
Nucleic Acids Res
The United States has a complex regulatory scheme for marketing drugs. Understanding drug regulatory status is a daunting task that requires integrating data from many sources from the United States Food and Drug Administration (FDA), US government p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::86be26b734d84210aafd61cb6c4eb8c4
https://pubmed.ncbi.nlm.nih.gov/34648031
https://pubmed.ncbi.nlm.nih.gov/34648031
Autor:
Noel Southall, Jordan Williams, Ewy Mathé, Jorge Neyra, Vishal B. Siramshetty, Xin Xu, Ðắc-Trung Nguyễn, Pranav Shah
Publikováno v:
SLAS discovery : advancing life sciences RD. 26(10)
Problems with drug ADME are responsible for many clinical failures. By understanding the ADME properties of marketed drugs and modeling how chemical structure contributes to these inherent properties, we can help new projects reduce their risk profil
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::892d5bc7a8a64d598d79f3528e2d53be
https://pubmed.ncbi.nlm.nih.gov/34176369
https://pubmed.ncbi.nlm.nih.gov/34176369