scholarly journals Potential of Steroidal Alkaloids in Cancer: Perspective Insight Into Structure–Activity Relationships

2021 ◽  
Vol 11 ◽  
Author(s):  
Ying Huang ◽  
Gen Li ◽  
Chong Hong ◽  
Xia Zheng ◽  
Haiyang Yu ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Structural Modification ◽  
Biological Activities ◽  
Chemical Properties ◽  
Steroidal Alkaloids ◽  
Pharmacological Activities ◽  
Structure Activity Relationships ◽  
Lead Compounds ◽  
Structure Activity ◽  
Insight Into

Steroidal alkaloids contain both steroidal and alkaloid properties in terms of chemical properties and pharmacological activities. Due to outstanding biological activities such as alkaloids and similar pharmacological effects to other steroids, steroidal alkaloids have received special attention in anticancer activity recently. Substituted groups in chemical structure play markedly important roles in biological activities. Therefore, the effective way to obtain lead compounds quickly is structural modification, which is guided by structure–activity relationships (SARs). This review presents the SAR of steroidal alkaloids and anticancer, including pregnane alkaloids, cyclopregnane alkaloids, cholestane alkaloids, C-nor-D-homosteroidal alkaloids, and bis-steroidal pyrazine. A summary of SAR can powerfully help to design and synthesize more lead compounds.

Structure –Activity Relationships by Autocorrelation Descriptors and Genetic Algorithms

2011 ◽  
pp. 60-94 ◽  
Author(s):  
Viviana Consonni ◽  
Roberto Todeschini
Keyword(s):  
Molecular Structure ◽  
Molecular Descriptors ◽  
Biological Activities ◽  
Chemical Properties ◽  
Structural Features ◽  
Point Of View ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Similarity Relationships ◽  
Definition Of

Quantitative Structure-Activity Relationships (QSARs) are models relating variation of molecule properties, such as biological activities, to variation of some structural features of chemical compounds. Three main topics take part of the QSAR/QSPR approach to the scientific research: the representation of molecular structure, the definition of molecular descriptors and the chemoinformatics tools. Molecular descriptors are numerical indices encoding some information related to the molecular structure. They can be both experimental physico-chemical properties of molecules and theoretical indices calculated by mathematical formulas or computational algorithms. In the last few decades, much interest has been addressed to studying how to encompass and convert the information encoded in the molecular structure into one or more numbers used to establish quantitative relationships between structures and properties, biological activities or other experimental properties. Autocorrelation descriptors are a class of molecular descriptors based on the statistical concept of spatial autocorrelation applied to the molecular structure. The objective of this chapter is to investigate the chemical information encompassed by autocorrelation descriptors and elucidate their role in QSAR and drug design. After a short introduction to molecular descriptors from a historical point of view, the chapter will focus on reviewing the different types of autocorrelation descriptors proposed in the literature so far. Then, some methodological topics related to multivariate data analysis will be overviewed paying particular attention to analysis of similarity/diversity of chemical spaces and feature selection for multiple linear regressions. The last part of the chapter will deal with application of autocorrelation descriptors to study similarity relationships of a set of flavonoids and establish QSARs for predicting affinity constants, Ki, to the GABAA benzodiazepine receptor site, BzR.

Derivatives and Analogues of Resveratrol: Recent Advances in Structural Modification

2019 ◽  
Vol 19 (10) ◽  
pp. 809-825 ◽  
Author(s):  
Qing-Shan Li ◽  
Yao Li ◽  
Girdhar Singh Deora ◽  
Ban-Feng Ruan
Keyword(s):  
Structural Modification ◽  
Biological Activities ◽  
Biological Properties ◽  
Synthetic Analogues ◽  
Pharmacological Activities ◽  
The Past ◽  
Structure Activity ◽  
Clinical Drugs ◽  
New Compounds ◽  
Reliable Basis

Resveratrol is a non-flavonoid polyphenol containing a terpenoid backbone. It has been intensively studied because of its various promising biological properties, such as anticancer, antioxidant, antibacterial, neuroprotective and anti-inflammatory activities. However, the medicinal application of resveratrol is constrained by its poor bioavailability and stability. In the past decade, more attention has been focused on making resveratrol derivatives to improve its pharmacological activities and pharmacokinetics. This review covers the literature published over the past 15 years on synthetic analogues of resveratrol. The emphasis is on the chemistry of new compounds and relevant biological activities along with structure-activity relationship. This review aims to provide a scientific and reliable basis for the development of resveratrol-based clinical drugs.

An Insight into the Synthesis and SAR of 2,4-Thiazolidinediones (2,4-TZD) as Multifunctional Scaffold: A Review

2020 ◽  
Vol 20 (4) ◽  
pp. 308-330 ◽  
Author(s):  
Navjot Singh Sethi ◽  
Deo Nandan Prasad ◽  
Rajesh Kumar Singh
Keyword(s):  
Antioxidant Activities ◽  
Structural Information ◽  
Biological Activities ◽  
Low Cost ◽  
Pharmacological Activities ◽  
Strategic Design ◽  
Lead Compounds ◽  
Privileged Scaffold ◽  
Synthetic Routes ◽  
Insight Into

2,4-Thiazolidinedione (2,4-TZD) is a versatile pharmacophore, a privileged scaffold, and a remarkable sulphur-containing heterocyclic compound with diverse pharmacological activities. The multifarious biological activities, due to different mechanisms of action, low cost, and easy availability of 2,4-TZD impressed medicinal chemists to integrate this moiety to develop various lead compounds with diverse therapeutic actions. This resulted in the swift development in the last decade for generating different new potential molecules bearing 2,4-TZD. In this review, the authors attempt to shape and present the latest investigations (2012 onwards) going on in generating promising 2,4-TZD containing lead compounds. The data has been collected and analyzed to develop the structure-activity relationship (SAR). The SAR and active pharmacophores of various leads accountable for antidiabetic, anticancer, antimicrobial, and antioxidant activities have also been illustrated. This review also highlighted some of the important chemical synthetic routes for the preparation of various 2,4-TZD derivatives. This review will definitely serve as a useful source of structural information to medicinal chemists and may be utilized for the strategic design of potent 2,4-TZD derivatives in the future.

scholarly journals Bioactivities and Structure–Activity Relationships of Fusidic Acid Derivatives: A Review

2021 ◽  
Vol 12 ◽  
Author(s):  
Junjun Long ◽  
Wentao Ji ◽  
Doudou Zhang ◽  
Yifei Zhu ◽  
Yi Bi
Keyword(s):  
Fusidic Acid ◽  
Structural Modification ◽  
Biological Activities ◽  
Pharmacological Activities ◽  
Structure Activity ◽  
Wide Range ◽  
Resistance Reversal ◽  
Anti Inflammation

Fusidic acid (FA) is a natural tetracyclic triterpene isolated from fungi, which is clinically used for systemic and local staphylococcal infections, including methicillin-resistant Staphylococcus aureus and coagulase-negative staphylococci infections. FA and its derivatives have been shown to possess a wide range of pharmacological activities, including antibacterial, antimalarial, antituberculosis, anticancer, tumor multidrug resistance reversal, anti-inflammation, antifungal, and antiviral activity in vivo and in vitro. The semisynthesis, structural modification and biological activities of FA derivatives have been extensively studied in recent years. This review summarized the biological activities and structure–activity relationship (SAR) of FA in the last two decades. This summary can prove useful information for drug exploration of FA derivatives.

scholarly journals Recent Updates on the Synthesis of Bioactive Quinoxaline-Containing Sulfonamides

2021 ◽  
Vol 11 (12) ◽  
pp. 5702
Author(s):  
Ali Irfan ◽  
Sajjad Ahmad ◽  
Saddam Hussain ◽  
Fozia Batool ◽  
Haseeba Riaz ◽  
...  
Keyword(s):  
Literature Review ◽  
Biomedical Applications ◽  
Therapeutic Potential ◽  
Biological Activities ◽  
Therapeutic Agents ◽  
Pharmacological Activities ◽  
Lead Compounds ◽  
Structure Activity ◽  
Wide Range ◽  
Sulfonamide Group

Quinoxaline is a privileged pharmacophore that has broad-spectrum applications in the fields of medicine, pharmacology and pharmaceutics. Similarly, the sulfonamide moiety is of considerable interest in medicinal chemistry, as it exhibits a wide range of pharmacological activities. Therefore, the therapeutic potential and biomedical applications of quinoxalines have been enhanced by incorporation of the sulfonamide group into their chemical framework. The present review surveyed the literature on the preparation, biological activities and structure-activity relationship (SAR) of quinoxaline sulfonamide derivatives due to their broad range of biomedical activities, such as diuretic, antibacterial, antifungal, neuropharmacological, antileishmanial, anti-inflammatory, anti-tumor and anticancer action. The current biological diagnostic findings in this literature review suggest that quinoxaline-linked sulfonamide hybrids are capable of being established as lead compounds; modifications on quinoxaline sulfonamide derivatives may give rise to advanced therapeutic agents against a wide variety of diseases.

Isothiocyanate Synthetic Analogs: Biological Activities, Structure-Activity Relationships and Synthetic Strategies

2014 ◽  
Vol 14 (12) ◽  
pp. 963-977 ◽  
Author(s):  
Andrea Milelli ◽  
Carmela Fimognari ◽  
Nicole Ticchi ◽  
Paolo Neviani ◽  
Anna Minarini ◽  
...  
Keyword(s):  
Biological Activities ◽  
Synthetic Analogs ◽  
Structure Activity Relationships ◽  
Structure Activity

scholarly journals Chemical Diversity and Biological Activity of Secondary Metabolites from Soft Coral Genus Sinularia since 2013

Marine Drugs ◽  
2021 ◽  
Vol 19 (6) ◽  
pp. 335
Author(s):  
Xia Yan ◽  
Jing Liu ◽  
Xue Leng ◽  
Han Ouyang
Keyword(s):  
Biological Activity ◽  
Secondary Metabolites ◽  
Coral Species ◽  
Soft Coral ◽  
Biological Activities ◽  
Vital Role ◽  
Chemical Diversity ◽  
Pharmacological Activities ◽  
Lead Compounds ◽  
Coral Genus

Sinularia is one of the conspicuous soft coral species widely distributed in the world’s oceans at a depth of about 12 m. Secondary metabolites from the genus Sinularia show great chemical diversity. More than 700 secondary metabolites have been reported to date, including terpenoids, norterpenoids, steroids/steroidal glycosides, and other types. They showed a broad range of potent biological activities. There were detailed reviews on the terpenoids from Sinularia in 2013, and now, it still plays a vital role in the innovation of lead compounds for drug development. The structures, names, and pharmacological activities of compounds isolated from the genus Sinularia from 2013 to March 2021 are summarized in this review.

scholarly journals New Sesterterpenes from Marine  Sponges from the Tropical Waters of the  Kingdom of Tonga

2021 ◽  
Author(s):  
◽  
Taitusi Taufa
Keyword(s):  
Biological Activities ◽  
Screening Method ◽  
Biological Properties ◽  
Geometric Isomer ◽  
Marine Sponges ◽  
Ring Closure ◽  
Substitution Pattern ◽  
Methyl Group ◽  
Structure Activity ◽  
Insight Into

<p>Over the course of this study, various species of Tongan marine sponges were investigated using an NMR-based screening method and has resulted in the discovery of three new sesterterpenes and 11 known compounds. Examination of the sponge Fascaplysinopsis sp. resulted in the isolation of two novel sesterterpenes, isoluffariellolide (46) and 1-O-methylisoluffariellolide (47). Compounds 46 and 47 share the same backbone pattern as the known luffariellolide (45) and 25-Omethylluffariellolide (107) respectively, and differ only in the substitution pattern of the butenolide rings. Isoluffariellolide (46) was found to be approximately six times less cytotoxic than 1-O-methylisoluffariellolide (47). Interestingly, these results suggested that the 1-O-methyl group in compound 47 plays an important role in the cytotoxicity of the compound. Secothorectolide (49), a new ring-opened and geometric isomer of the known compound thorectolide (48), was obtained from a sponge of the order Dictyoceratida. This ring closure and opening relationship was also observed between manoalide (109) and secomanoalide (110), as well as luffariellins A (141) and B (142). Despite the different carbon skeleton, the functional groups in 141 and 142 are similar with those in 109 and 110, respectively, and not surprisingly the biological properties are almost identical. The biological activities of compounds 48 and 49 were almost the same, which would give an insight into the structure-activity relationship (SAR) between these types of compounds.</p>

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