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Topic Review
Molecular Dynamics Simulations
Molecular dynamics (MD) is a simulation technique that aims at deriving statements about the structural, dynamical, and thermodynamical properties of a molecular system. MD simulations have become increasingly useful in the modern drug development process. For example, in the lead discovery and lead optimization phases, MD facilitates the evaluation of the binding energetics and kinetics of the ligand-receptor interactions, therefore guiding the choice of the best candidate molecules for further development. in the future, the role of MD simulations in facilitating the drug development process is likely to grow substantially with the increasing computer power and advancements in the development of force fields and enhanced MD methodologies.
  • 3.8K
  • 20 Jan 2021
Topic Review
Synthesis of 3,4-Dihydropyrimidin(thio)one Containing Scaffold
The interest in 3,4-dihydropyrimidine-2(1H)-(thio)ones is increasing every day, mainly due to their paramount biological relevance. The Biginelli reaction is the classical approach to reaching these scaffolds, although the product diversity suffers from some limitations. In order to overcome these restrictions, two main approaches have been devised. The first one involves the modification of the conventional components of the Biginelli reaction and the second one refers to the postmodification of the Biginelli products. Both strategies have been extensively revised in this manuscript. Regarding the first one, initially, the modification of one of the components was covered. Although examples of modifications of the three of them were described, by far the modification of the keto ester counterpart was the most popular approach, and a wide variety of different enolizable carbonylic compounds were used; moreover, changes in two or the three components were also described, broadening the substitution of the final dihydropyrimidines. Together with these modifications, the use of Biginelli adducts as a starting point for further modification was also a very useful strategy to decorate the final heterocyclic structure.
  • 3.8K
  • 15 Aug 2022
Topic Review
Synthesis of Mesoporous Silica Nanoparticles
Mesoporous silica nanoparticles (MSNs) have been advocated as nanocarriers for the treatment of various diseases because of their physicochemical properties and biocompatibility. The use of MSNs combined with therapeutic agents can provide better encapsulation and effective delivery. MSNs as nanocarriers might also be a promising tool to lower the therapeutic dosage levels and thereby to reduce undesired side effects. Furthermore, when combined with imaging compounds for diagnosis, they can be employed as theragnostic agents thus allowing both imaging and therapy using the same nanoparticle.
  • 3.6K
  • 19 Jul 2023
Topic Review
Bee-Products in Male Reproductive Impairment
Bee products are sources of functional food that have been used in complementary medicine to treat a variety of acute and chronic illnesses in many parts of the world. The products vary from location to location as well as country to country. 
  • 3.6K
  • 08 Jun 2021
Topic Review
Phlorotannins
Phlorotannins represent an important group of phenolic compounds, exclusively occurring in brown algae that can form simple structures of 126 Da to very large and complex polymers. Although the biosynthetic pathway of these compounds is still not consensual, it is known that they are formed via C–C and/or C–O–C oxidative coupling of several monomeric units of phloroglucinol, which in turn is known to be biosynthesized through the acetate–malonate pathway. According to the type of linkage formed between these units and the number of hydroxyl groups, phlorotannins can be classified in four sub-classes, namely phlorethols and fuhalols (ether linkages), fucols (aryl-aryl linkages), fucophlorethols (aryl-aryl and ether linkages), and eckols and carmalols (dibenzodoxine linkage).
  • 3.5K
  • 13 Oct 2023
Topic Review
Structure-Based Virtual Screening
Molecular docking plays a significant role in early-stage drug discovery, from structure-based virtual screening (VS) to hit-to-lead optimization. VS is a computational approach used to identify chemical structures that are predicted to have particular properties. In drug discovery, it involves computationally searching large libraries of chemical structures to identify those structures that are most likely to bind to a target protein.
  • 3.2K
  • 04 Aug 2022
Topic Review
Green Synthetic Approach
Green synthetic protocol refers to the development of processes for the sustainable production of chemicals and materials. For the synthesis of various biologically active compounds, energy-efficient and environmentally benign processes are applied, such as microwave irradiation technology, ultrasound-mediated synthesis, photo-catalysis (ultraviolet, visible and infrared irradiation), molecular sieving, grinding and milling techniques, etc. 
  • 3.2K
  • 01 Jul 2021
Topic Review
Cell Wall Polysaccharides in Gram-Positive and Gram-Negative Bacteria
Certain bacteria constitute a threat to humans due to their ability to escape host defenses as they easily develop drug resistance. Bacteria are classified into gram-positive and gram-negative according to the composition of the cell membrane structure. Gram-negative bacteria have an additional outer membrane (OM) that is not present in their gram-positive counterpart; the latter instead hold a thicker peptidoglycan (PG) layer. Bacterial resistance to these drugs continues to evolve, which calls for novel antibacterial approaches to be developed.
  • 3.1K
  • 05 Aug 2022
Topic Review
Taxol Biosynthetic Pathway
Taxol is one of the most effective anticancer drugs in the world that is widely used in the treatment of several cancers. The elucidation of the taxol biosynthetic pathway is the key to solve the problem of taxol supply. So far, the taxol biosynthetic pathway has been reported to require an estimated 20 steps of enzymatic reactions, and most of enzymes involved have been well characterized. In details, the source and formation of the taxane core and the process of the downstream synthetic pathway have been basically depicted, while the modification of the core taxane skeleton has not been fully reported, mainly concerning the developments from diol intermediates to 2-debenzoyltaxane. 
  • 3.1K
  • 01 Jun 2021
Topic Review
Marine-Derived Phenolic Compounds
Phenolic metabolites are organic compounds with at least one or more hydroxyl groups attached to arylic systems with simple variations to highly polymerized molecules.
  • 3.0K
  • 10 Mar 2022
Topic Review
Cardiac Glycosides
Cardiac glycosides (CG’s) are naturally occurring biologically active small molecules, used to diagnose a diversity of heart diseases such as congestive heart failure and cardiac arrhythmia. The story of CG’s started over 100 years ago when Sir William Withering reported the use of foxglove plant for treating “dropsy” associated with congestive heart failure and the foxglove plant (Digitalis purpurea) was still in the use for the extraction of Digoxin, a cardiac glycoside used to treat congestive heart failures (Johnson., 2012). The core structure of CGs comprises a steroid nucleus attached to a five-membered lactone ring (cardenolide) or six-membered lactone rings (bufadienolides) along with sugar moieties. Major plant-derived CGs were obtained from plant families of Apocynaceae, Scrophulariaceae, and Asparagaceae (Thevitia neriifolia, Neerium oleander, Digitalis purpurea, Digitalis lanata, Urginea maritime, and Strophanthus kombe). Structurally, all these contain a core steroid nucleus connected with sugar moiety at C3 position and lactone moiety at C17 position (Figure 1.3). The pharmacological significance of all the CG’s lies in the core steroid confirmation that contains A/B and C/D cis- portions and the properties such as pharmacokinetics and pharmacodynamics lie between the confined sugars molecules (Pongrakhananon., 2013). Apart from the plant sources, CG’s were also isolated from several animal species such as bufadienolide was isolated from frogs, and also mammalian tissues contain a cardiac glycoside which is similar to endogenous digitalis (Melero et al., 2000). Quite a few studies have conveyed that the human body does contain a lot more CG’s in different parts. For example, the plasma membrane contains Ouabain and Proscillaridin A and human urine contains digoxin and marinobufagenin whereas human lenses consist of 19-norbufalin (Schoner and Scheiner-Bobis., 2007). In the year 1785, William Withering was the first person to use a digitalis compound from Digitalis purpurea to treat congestive heart failures. Currently, Digoxin is used for treating congestive heart failures. The mechanism of action of Digoxin is that it can inhibit the sodium-potassium pump (Na+/K+-ATPase). Living organisms maintain more percentage of K+ within the cell and less percentage of Na+. However, the scenario at the outside of the cell is quite opposite to the intracellular conditions where a high percentage of Na+ and less percentage of K+ will be maintained. Hence, there is a concentration incline that exists between the outside and inside cellular environments, which will be maintained by sodium-potassium pump. The Na+/K+-ATPase is recognized as a transmembrane protein whose functions are to maintain ionic balance in the heart tissue. Na+/K+-ATPase utilizes ATP as the whole energy source, to exchange two K+ ions inside the cell and pushes three Na+ ions outside to maintain intra cellular homeostasis. Also, Na+/K+-ATPase transports glucose and amino acids by keeping less concentration of Na+ within the cell and helps in the maintenance of electrochemical incline. The increment of the Na+ level inside the cell retort to CGs fortifies the ion exchange mechanism. This leads to the expansion of intracellular Ca2+ percentage which therefore promotes organelle instances such as myocardial contractibility, and generates optimistic inotropic effects in the heart cell with CGs (Kaplan., 2002).  
  • 3.0K
  • 12 Aug 2020
Topic Review
Medicinal Use of Testosterone
Testosterone derivatives and related compounds (such as anabolic-androgenic steroids—AAS) are frequently misused by athletes (both professional and amateur) wishing to promote muscle development and strength or to cover AAS misuse.
  • 2.9K
  • 11 Jun 2021
Topic Review
Synthesis of nucleobase-modified RNA oligonucleotides
The review summarizes the methods of site-specific incorporation of nucleobase-modified units into RNA oligomers via the post-synthetic strategy including recently discovered native hypermodified functional groups, fluorescent dyes, photoreactive groups, disulfide crosslinks, and nitroxide spin labels.
  • 2.9K
  • 06 Aug 2020
Topic Review
Development of CDK4/6 Inhibitors
CDKs, a family of serine/threonine kinases, regulate cell cycle progression into the four distinct phases G1, S (DNA synthesis), G2 and M, and are crucially involved in the regulation of cell division and proliferation.
  • 2.8K
  • 23 Apr 2021
Topic Review
Genus Cordyline
Cordyline species have a long history in traditional medicine as a basis of treatment for various ailments such as a bloody cough, dysentery, and a high fever. There are about 26 accepted species names in this genus distributed worldwide, including C. fruticosa, C. autralis, C. stricta, C. cannifolia, and C. dracaenosides. 
  • 2.8K
  • 19 Dec 2023
Topic Review
Fluorinated Drugs Approved by the FDA (2016–2022)
Fluorine is characterized by high electronegativity and small atomic size, which provide this molecule with the unique property of augmenting the potency, selectivity, metabolic stability, and pharmacokinetics of drugs. Fluorine (F) substitution has been extensively explored in drug research as a means of improving biological activity and enhancing chemical or metabolic stability. Selective F substitution onto a therapeutic or diagnostic drug candidate can enhance several pharmacokinetic and physicochemical properties such as metabolic stability and membrane permeation. The increased binding ability of fluorinated drug target proteins has also been reported in some cases. An emerging line of research on F substitution has been addressed by using 18F as a radiolabel tracer atom in the extremely sensitive methodology of positron emission tomography (PET) imaging.
  • 2.7K
  • 01 Sep 2023
Topic Review
Hsp90 C-Terminal Inhibitors
Hsp90 is a molecular chaperone with over 300 client proteins that act in the cell cycle and in signalling processes. Disruption of Hsp90 chaperone activity by inhibitors induces simultaneous proteasomal degradation of many deregulated oncoproteins that are critical for all fundamental hallmarks of cancers. To date, mainly Hsp90 N-terminal domain inhibitors have been developed for cancer treatments; however, several of these have not been successful in clinical trials, often due to toxicity. One of the major drawbacks associated with Hsp90 N-terminal domain inhibition is induction of the pro-survival heat-shock response. This response results in increased levels of Hsp90 and anti-apoptotic proteins, such as heat shock factor 1 (HSF-1), Hsp27 and Hsp70, which initiate anti-apoptotic cascades and promote drug resistance, a highly problematic property of any anticancer drug. In contrast, Hsp90 C-terminal inhibitors do not induce the heat shock response, and are therefore promising novel agents for treatment of different cancers.
  • 2.7K
  • 09 Nov 2020
Topic Review
Antimicrobial photodynamic therapy (aPDT)
Photodynamic inactivation is known as a new antimicrobial photodynamic therapy (aPDT). It is based on the administration of a photosensitizer located in the bacterial/viral cell followed by exposure to light radiations (with a proper wavelength corresponding with the maximum value of absorption of the photosensitizer) that generate singlet oxygen or reactive oxygen species, which lead to the death of different microorganisms. This review will present an overview beyond the state-of-the-art of the photosensitizer types (based on tetra-p-sulphonated-phenyl porphyrin—TSPP, which is able to form cationic and J-aggregates forms at different pH values ((1–4) and concentrations around 10−5 M) and their applications of PDT for viruses, especially. 
  • 2.7K
  • 30 Sep 2021
Topic Review
Common Genera of Cyanobacteria and Their Characteristics
Blue-green algae, or cyanobacteria, may be prevalent in our rivers and tap water. These minuscule bacteria can grow swiftly and form blooms in warm, nutrient-rich water. 
  • 2.6K
  • 27 Sep 2023
Topic Review
Red Macroalgae
Red Seaweed “Rhodophyta” are an important group of macroalgae that include approximately 7000 species. They are a rich source of structurally diverse bioactive constituents, including protein, sulfated polysaccharides, pigments, polyunsaturated fatty acids, vitamins, minerals, and phenolic compounds with nutritional, medical, and industrial importance. Polysaccharides are the main components in the cell wall of red algae and represent about 40–50% of the dry weight, which are extensively utilized in industry and pharmaceutical compounds, due to their thickening and gelling properties. The hydrocolloids galactans carrageenans and agars are the main red seaweed cell wall polysaccharides, which had broad-spectrum therapeutic characters. Generally, the chemical contents of seaweed are different according to the algal species, growth stage, environment, and external conditions, e.g., the temperature of the water, light intensity, nutrient concentrations in the ecosystem. Economically, they can be recommended as a substitute source for natural ingredients that contribute to a broad range of bioactivities like cancer therapy, anti-inflammatory agents, and acetylcholinesterase inhibitory. This entry touches on the mainpoints of the pharmaceutical applications of red seaweed, as well as the exploitation of their specific compounds and secondary metabolites with vital roles.
  • 2.6K
  • 07 Dec 2020
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