Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: A review
Computer-aided drug design (CADD) is one of the pivotal approaches to contemporary pre-
clinical drug discovery, and various computational techniques and software programs are …
clinical drug discovery, and various computational techniques and software programs are …
Evaluation of propolis activity as sucrose-dependent and sucrose-independent Streptococcus mutans inhibitors to treat dental caries using an in silico approach
Dental caries is an oral disease that still shows high prevalence in the world. Streptococcus
mutans as the main caries-related bacterium uses some features to exhibit its role as a …
mutans as the main caries-related bacterium uses some features to exhibit its role as a …
Identifying potential monkeypox virus inhibitors: an in silico study targeting the A42R protein
Monkeypox (now Mpox), a zoonotic disease caused by the monkeypox virus (MPXV) is an
emerging threat to global health. In the time span of only six months, from May to October …
emerging threat to global health. In the time span of only six months, from May to October …
Antifungal Constituents of Piper crocatum and Their Activities as Ergosterol Biosynthesis Inhibitors Discovered via In Silico Study Using ADMET and Drug-Likeness …
Along with the increasing resistance of Candida spp. to some antibiotics, it is necessary to
find new antifungal drugs, one of which is from the medicinal plant Red Betel (Piper …
find new antifungal drugs, one of which is from the medicinal plant Red Betel (Piper …
Computational Exploration of Potential Pharmacological Inhibitors Targeting the Envelope Protein of the Kyasanur Forest Disease Virus
The limitations of the current vaccination strategy for the Kyasanur Forest Disease virus
(KFDV) underscore the critical need for effective antiviral treatments, highlighting the crucial …
(KFDV) underscore the critical need for effective antiviral treatments, highlighting the crucial …
[HTML][HTML] The potential of Sonneratia caseolaris mangrove leaves extract as a bioactive food ingredient using various water extract
H Kartikaningsih, N Fitriana, IL Anggraeni… - …, 2024 - pmc.ncbi.nlm.nih.gov
Background Sonneratia caseolaris, known as the red pidada, has been widely utilized by
the Indonesian. S. caseolaris leaves contain various active compounds, contributing to their …
the Indonesian. S. caseolaris leaves contain various active compounds, contributing to their …
Structure based interaction and molecular dynamics studies of cysteine protease Cathepsin B against curcumin and resveratrol
The lysosomal cysteine peptidase Cathepsin B is identified as a pivotal contributor to cancer
development. In the pursuit of discovering less toxic inhibitors for Cathepsin B, various …
development. In the pursuit of discovering less toxic inhibitors for Cathepsin B, various …
Investigation and drug design for novel molecules from natural products as inhibitors for controlling multiple myeloma disease using in-silico tools
Multiple myeloma (MM) is a disease that causes plasma cell growth in the bone marrow and
immune globulin buildup in blood and urine. Despite recent advances in MM therapy, many …
immune globulin buildup in blood and urine. Despite recent advances in MM therapy, many …
Immunoreactivity of humanized single-chain variable fragment against its functional epitope on domain 1 of CD147
N Intasai, K Rangnoi, M Yamabhai… - Scientific Reports, 2022 - nature.com
Abstract Domain 1 of CD147 participates in matrix metalloproteinase (MMP) production and
is a candidate for targeted therapy to prevent cancer invasion and metastasis. A functional …
is a candidate for targeted therapy to prevent cancer invasion and metastasis. A functional …
In Silico Study of Thiourea Derivatives as Potential Epidermal Growth Factor Receptor Inhibitors
Over the years, the escalation of cancer cases has been linked to the resistance, less
selectivity, and toxicity of available anticancer drugs to normal cells. Therefore, continuous …
selectivity, and toxicity of available anticancer drugs to normal cells. Therefore, continuous …