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Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach
AbstractDevelopment of potential antitubercular molecules is a challenging task due to the rapidly emerging drug-resistant strains of Mycobacterium...
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A versatile polypharmacology platform promotes cytoprotection and viability of human pluripotent and differentiated cells
Human pluripotent stem cells (hPSCs) are capable of extensive self-renewal yet remain highly sensitive to environmental perturbations in vitro,...
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Structural genomics of the human dopamine receptor system
The dopaminergic system, including five dopamine receptors (D1R to D5R), plays essential roles in the central nervous system (CNS); and ligands that...
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Plant-derived natural products for drug discovery: current approaches and prospects
Nature has abundant source of drugs that need to be identified/purified for use as essential biologics, either individually or in combination in the...
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Web-Based Tools for Polypharmacology Prediction
Drug promiscuity or polypharmacology is the ability of small molecules to interact with multiple protein targets simultaneously. In drug discovery,...
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A proteome-wide atlas of drug mechanism of action
Defining the cellular response to pharmacological agents is critical for understanding the mechanism of action of small molecule perturbagens. Here,...
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Molecular Pharmacological Tools Applied to Epidemiology
Although pharmacology and epidemiology seem to be quite distant disciplines, both depend on each other. On one hand, it is essential to know the...
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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,...
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Target-Based Screening for Lead Discovery
As a result of the enormous advances in molecular biology, recombinant technology, and genomics over the past few decades, target-based drug...
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Potentials and future perspectives of multi-target drugs in cancer treatment: the next generation anti-cancer agents
Cancer is a major public health problem worldwide with more than an estimated 19.3 million new cases in 2020. The occurrence rises dramatically with...
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Virtual Reverse Screening Approach to Target Type 2 Cannabinoid Receptor
A screening pool consisting of 617710 drug-like query molecules properly filtered from the ChEMBL database was employed for a ligand-based reverse...
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Three million images and morphological profiles of cells treated with matched chemical and genetic perturbations
The identification of genetic and chemical perturbations with similar impacts on cell morphology can elucidate compounds’ mechanisms of action or...
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Computational Approaches for Identifying Therapeutic Potential of Phytocompounds
Drug discovery is a process that aims at identifying a compound with therapeutic potential in curing and treating disease. Develo** methods for...
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Evaluation of the Antitumor Potential of Soloxolone Tryptamide against Glioblastoma Multiforme Using in silico, in vitro, and in vivo Approaches
AbstractGlioblastoma multiforme (GBM) is a highly aggressive brain tumor characterized by uncontrollable diffusive growth, resistance to chemo- and...
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Therapeutic Potential of Resveratrol and Lignans in the Management of Tuberculosis
This study aims to investigate the therapeutic potential of herbal remedies, specifically resveratrol and lignans, as alternative treatments for...
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Synthesis of dihydrofuran-3-one and 9,10-phenanthrenequinone hybrid molecules and biological evaluation against colon cancer cells as selective Akt kinase inhibitors
A series of dihydrofuran-3-one and 9,10-phenanthrenequinone hybrid compounds were synthetized through a one-pot gold-catalyzed oxidative cyclization...
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Small molecule modulation of microbiota: a systems pharmacology perspective
BackgroundMicrobes are associated with many human diseases and influence drug efficacy. Small-molecule drugs may revolutionize biomedicine by...
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WNTinib is a multi-kinase inhibitor with specificity against β-catenin mutant hepatocellular carcinoma
Hepatocellular carcinoma (HCC) is a leading cause of cancer-related deaths worldwide. β-Catenin ( CTNNB1)- mutated HCC represents 30% of cases of the...
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Inhibitory Effects of 7-Methylguanine and Its Metabolite 8-Hydroxy-7-Methylguanine on Human Poly(ADP-Ribose) Polymerase 1
AbstractPreviously, we have found that a nucleic acid metabolite, 7-methylguanine (7mGua), produced in the body can have an inhibitory effect on the...
