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Topic Review
Allosteric Drug Discovery
Understanding molecular mechanisms underlying the complexity of allosteric regulation in proteins has attracted considerable attention in drug discovery due to the benefits and versatility of allosteric modulators in providing desirable selectivity against protein targets while minimizing toxicity and other side effects. The proliferation of novel computational approaches for predicting ligand–protein interactions and binding using dynamic and network-centric perspectives has led to new insights into allosteric mechanisms and facilitated computer-based discovery of allosteric drugs. Although no absolute method of experimental and in silico allosteric drug/site discovery exists, current methods are still being improved. As such, the critical analysis and integration of established approaches into robust, reproducible, and customizable computational pipelines with experimental feedback could make allosteric drug discovery more efficient and reliable. In this article, we review computational approaches for allosteric drug discovery and discuss how these tools can be utilized to develop consensus workflows for in silico identification of allosteric sites and modulators with some applications to pathogen resistance and precision medicine. The emerging realization that allosteric modulators can exploit distinct regulatory mechanisms and can provide access to targeted modulation of protein activities could open opportunities for probing biological processes and in silico design of drug combinations with improved therapeutic indices and a broad range of activities.
  • 883
  • 26 Sep 2021
Topic Review
Allosterism in the PDZ Family
Allosterism is a phenomenon where communication exists within a biological macromolecule between the ligand-binding site and a distal region. Dynamic allosterism allows the propagation of signal throughout a protein. The PDZ (PSD-95/Dlg1/ZO-1) family has been named as a classic example of dynamic allostery in small modular domains. While the PDZ family consists of more than 200 domains, previous efforts have primarily focused on a few well-studied PDZ domains, including PTP-BL PDZ2, PSD-95 PDZ3, and Par6 PDZ. Taken together, experimental and computational studies have identified regions of these domains that are dynamically coupled to ligand binding. These regions include the αA helix, the αB lower-loop, and the αC helix. In this review, we summarize the specific residues on the αA helix, the αB lower-loop, and the αC helix of PTP-BL PDZ2, PSD-95 PDZ3, and Par6 PDZ that have been identified as participants in dynamic allostery by either experimental or computational approaches. 
  • 296
  • 21 Feb 2022
Topic Review
Allotetraploid Cotton
Allotetraploid cotton (Gossypium hirsutum and Gossypium barbadense) are cultivated worldwide for its white fiber. Since centuries, conventional breeding approaches increase cotton yield at the cost of extensive erosion of natural genetic variability. Sea Island cotton (G. barbadense) is known for its superior fiber quality, but show poor adaptability as compared to Upland cotton. Hence, there is a dire need to improve the current germplasm resources of Sea Island cotton to develop diverse breeding lines with improved adaptability and excellent agronomic and economic traits. Ethyl methanesulfonate (EMS) is an excellent mutagenic agent that induces genome-wide point mutations to activate the mutagenic potential of plants. In current study, we determined the optimal EMS experimental procedure suitable for construction of cotton mutant library. At M6 generation, mutant library comprised of lines with distinguished phenotypes of the plant architecture, leaf, flower, boll and fiber. Genome wide analysis of SNP distribution and density in yellow leaf mutants reflected the better quality of mutant library. Our mutant collection will serve as the valuable resource for basic research on cotton functional genomics, as well as cotton breeding.
  • 863
  • 09 Nov 2020
Topic Review
Almond Kernel
This entry is about Non-Lipid Components and Minor Fat-Soluble Bioactive Compounds of Almond Kernel.
  • 5.8K
  • 08 Dec 2020
Topic Review
Almond, Hazelnut, Pistachio and their Skin
Nuts are dry, single-seeded fruits, with a combination of beneficial compounds that aid in disease prevention and treatment. Nuts’ skins are a good source of antioxidants thanks to the presence of polyphenolic compounds and other phytochemicals that can delay or inhibit lipid oxidation and neutralization of free radicals, contributing to disease prevention and treatments. Almond, hazelnut, pistachio are three very typical and common nuts.
  • 1.0K
  • 02 Nov 2022
Topic Review
Almonds (Prunus dulcis)
Almond (Prunus dulcis) is a tree species that together with peach is included in the subgenus Amygdalus.
  • 2.3K
  • 02 Mar 2021
Topic Review
Aloe vera Gel
Edible coating gels developed from the Aloe vera plant have been used as a traditional medicine for about 3000 years. Aloe vera contains approximately 110 potentially active constituents from six different classes: chromone and its glycoside derivatives; anthraquinone and its glycoside derivatives; flavonoids; phenylpropanoids and coumarins; phenylpyrone and phenol derivatives; and phytosterols and others. Apart from medicinal uses, Aloe gels have an important role in food preservation as edible coatings. They provide an edible barrier for atmospheric gases and moisture and help to reduce the respiration and transpiration of fresh produce, which helps to preserve its postharvest quality.
  • 647
  • 29 Nov 2021
Topic Review
Alopecia
Hair loss (HL), also known as alopecia or baldness, is a common clinical disorder that affects millions of people worldwide and often causes a significant source of patient distress.
  • 1.2K
  • 07 May 2021
Topic Review
Alopecia Areata
Alopecia areata is a common disorder that causes hair loss. "Alopecia" is a Latin term that means baldness, and "areata" refers to the patchy nature of the hair loss that is typically seen with this condition.
  • 492
  • 24 Dec 2020
Topic Review
Aloperine
Aloperine is an alkaloid found in the seeds and leaves of the medicinal plant Sophora alopecuroides L. It has been used as herbal medicine in China for centuries due to its potent anti-inflammatory, antioxidant, antibacterial, and antiviral properties. Recently, aloperine has been widely investigated for its therapeutic activities. Aloperine is proven to be an effective therapeutic agent against many human pathological conditions, including cancer, viral diseases, and cardiovascular and inflammatory disorders. Aloperine is reported to exert therapeutic effects through triggering various biological processes, including cell cycle arrest, apoptosis, autophagy, suppressing cell migration, and invasion. It has also been found to be associated with the modulation of various signaling pathways in different diseases.
  • 445
  • 05 May 2022
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