Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Sowmya Ramaswamy Krishnan"'
Publikováno v:
ACS Infectious Diseases. 9:459-469
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e05208e8d7388807a8f5fe1456558860
https://doi.org/10.1021/acsinfecdis.2c00436
https://doi.org/10.1021/acsinfecdis.2c00436
Publikováno v:
Future Medicinal Chemistry. 14:1441-1453
Aim: In the early stages of drug discovery, various experimental and computational methods are used to measure the specificity of small molecules against a target protein. The selectivity of small molecules remains a challenge leading to off-target s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96781a16e74df4df746b72d0e29cc33d
https://doi.org/10.4155/fmc-2022-0075
https://doi.org/10.4155/fmc-2022-0075
Autor:
Sarveswara Rao Vangala, Navneet Bung, Gopalakrishnan Bulusu, Sowmya Ramaswamy Krishnan, Arijit Roy, Rajgopal Srinivasan
Publikováno v:
Journal of Chemical Information and Modeling. 62:5100-5109
In recent years, deep learning-based methods have emerged as promising tools foride novo/idrug design. Most of these methods are ligand-based, where an initial target-specific ligand data set is necessary to design potent molecules with optimized pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::89bb0594263f964ea372e690c3468729
https://doi.org/10.1021/acs.jcim.1c01319
https://doi.org/10.1021/acs.jcim.1c01319
Publikováno v:
Journal of molecular biology.
Ribonucleic acids (RNAs) are involved in a multitude of crucial cellular functions by acting as a central conduit for information transfer. Due to their essential and versatile functional roles in the cell, RNAs have also been implicated in multiple
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0ec16808e10c4156a215dd452c5f262
https://pubmed.ncbi.nlm.nih.gov/36495921
https://pubmed.ncbi.nlm.nih.gov/36495921
Autor:
Sowmya Ramaswamy Krishnan, Navneet Bung, Siladitya Padhi, Gopalakrishnan Bulusu, Parimal Misra, Manojit Pal, Srinivas Oruganti, Rajgopal Srinivasan, Arijit Roy
Publikováno v:
Journal of molecular graphicsmodelling. 118
Mycobacterium tuberculosis (Mtb) is a pathogen of major concern due to its ability to withstand both first- and second-line antibiotics, leading to drug resistance. Thus, there is a critical need for identification of novel anti-tuberculosis agents t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13a5de74290209c45703aa4dac3f3900
https://pubmed.ncbi.nlm.nih.gov/36257148
https://pubmed.ncbi.nlm.nih.gov/36257148
Publikováno v:
Future Medicinal Chemistry
Background: The novel coronavirus SARS-CoV-2 has severely affected the health and economy of several countries. Multiple studies are in progress to design novel therapeutics against the potential target proteins in SARS-CoV-2, including 3CL protease,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::949da75f650e7bfaddb03576e234a8e4
https://doi.org/10.4155/fmc-2020-0262
https://doi.org/10.4155/fmc-2020-0262
Publikováno v:
Journal of Chemical Information and Modeling. 61:621-630
In the world plagued by the emergence of new diseases, it is essential that we accelerate the drug design process to develop new therapeutics against them. In recent years, deep learning-based methods have shown some success in ligand-based drug desi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ee6696d37cd10500d1b5ef1576fe239
https://doi.org/10.1021/acs.jcim.0c01060
https://doi.org/10.1021/acs.jcim.0c01060
Publikováno v:
Journal of chemical information and modeling. 62(11)
The aim of drug design and development is to produce a drug that can inhibit the target protein and possess a balanced physicochemical and toxicity profile. Traditionally, this is a multistep process where different parameters such as activity and ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::492c96b47cf58434ae0e8c04f816edc3
https://pubmed.ncbi.nlm.nih.gov/35581002
https://pubmed.ncbi.nlm.nih.gov/35581002
The aim of drug design and development is to produce a drug which can inhibit the target protein and possess a balanced physicochemical and toxicity profile. Traditionally, this is a multi-step process where different parameters such as activity, phy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::976833631db1553dc01f4f76100425a3
https://doi.org/10.26434/chemrxiv-2022-s9l6x-v3
https://doi.org/10.26434/chemrxiv-2022-s9l6x-v3
Motivation: Aim of a successful drug design and development is to produce a drug which can inhibit the target protein and has a balanced physicochemical and toxicity profile. Traditionally, this is a multi-step process where different parameters such
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8048808b9bb52154bbd110273d6ba7e
https://doi.org/10.26434/chemrxiv-2022-s9l6x
https://doi.org/10.26434/chemrxiv-2022-s9l6x