[HTML][HTML] Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
[HTML][HTML] Current progress in structure-based rational drug design marks a new mindset in drug discovery
V Lounnas, T Ritschel, J Kelder, R McGuire… - Computational and …, 2013 - Elsevier
The past decade has witnessed a paradigm shift in preclinical drug discovery with structure-
based drug design (SBDD) making a comeback while high-throughput screening (HTS) …
based drug design (SBDD) making a comeback while high-throughput screening (HTS) …
[HTML][HTML] Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents …
X-linked inhibitor of apoptosis protein (XIAP) is a member of inhibitor of apoptosis protein
(IAP) family responsible for neutralizing the caspases-3, caspases-7, and caspases-9 …
(IAP) family responsible for neutralizing the caspases-3, caspases-7, and caspases-9 …
[HTML][HTML] Identification of potent and selective JAK1 lead compounds through ligand-based drug design approaches
S Babu, SK Nagarajan, S Sathish, VS Negi… - Frontiers in …, 2022 - frontiersin.org
JAK1 plays a significant role in the intracellular signaling by interacting with cytokine
receptors in different types of cells and is linked to the pathogenesis of various cancers and …
receptors in different types of cells and is linked to the pathogenesis of various cancers and …
[HTML][HTML] Pan-genomics, drug candidate mining and ADMET profiling of natural product inhibitors screened against Yersinia pseudotuberculosis
Yersinia pseudotuberculosis belongs to the family Enterobacteriaceae and is responsible for
scarlatinoid fever, food poisoning, post-infectious complications like erythema …
scarlatinoid fever, food poisoning, post-infectious complications like erythema …
[HTML][HTML] An overview of the potential medicinal and pharmaceutical properties of Ru (II)/(III) complexes
A Skoczynska, A Lewinski, M Pokora, P Paneth… - International Journal of …, 2023 - mdpi.com
This review examines the existing knowledge about Ru (II)/(III) ion complexes with a
potential application in medicine or pharmacy, which may offer greater potential in cancer …
potential application in medicine or pharmacy, which may offer greater potential in cancer …
Challenges in developing medicinal plant databases for sharing ethnopharmacological knowledge
SS Ningthoujam, AD Talukdar, KS Potsangbam… - Journal of …, 2012 - Elsevier
ETHNOPHARMACOLOGICAL RELEVANCE: Major research contributions in
ethnopharmacology have generated vast amount of data associated with medicinal plants …
ethnopharmacology have generated vast amount of data associated with medicinal plants …
[HTML][HTML] Identification of potential p38γ inhibitors via in silico screening, in vitro bioassay and molecular dynamics simulation studies
Protein kinase p38γ is an attractive target against cancer because it plays a pivotal role in
cancer cell proliferation by phosphorylating the retinoblastoma tumour suppressor protein …
cancer cell proliferation by phosphorylating the retinoblastoma tumour suppressor protein …
Identification of a potential SARS-CoV2 inhibitor via molecular dynamics simulations and amino acid decomposition analysis
N Razzaghi-Asl, A Ebadi, S Shahabipour… - Journal of …, 2021 - Taylor & Francis
Considering lack of validated therapeutic drugs or vaccines against contagious SARS-
CoV2, various efforts have been focused on repurposing of existing drugs or identifying new …
CoV2, various efforts have been focused on repurposing of existing drugs or identifying new …
[HTML][HTML] SMILES-based 2D-QSAR and similarity search for identification of potential new scaffolds for development of SARS-CoV-2 MPRO inhibitors
AS Costa, JPA Martins, EB de Melo - Structural Chemistry, 2022 - Springer
COVID-19, whose etiological agent is the SARS-CoV-2 virus, has caused over 537.5 million
cases and killed over 6.3 million people since its discovery in 2019. Despite the recent …
cases and killed over 6.3 million people since its discovery in 2019. Despite the recent …