Type-2 Multi-Fuzzy Sets and Their Applications in Decision Making

In a real-life scenario, it is undoable and unmanageable to solve a decision-making problem with the single stand-alone decision-aid method, expert assessment methodology or deterministic approaches. Such problems are often based on the suggestions or feedback of several experts. Usually, the feedback of these experts are heterogeneous imperfect information collected from various more or less reliable sources. In this paper, we introduce the concept of multi-sets over type-2 fuzzy sets. We have tried to propose an extension of type-1 multi-fuzzy sets into a type-2 multi-fuzzy set (T2MFS). After defining T2MFS, we discuss the algebraic properties of these sets including set-theoretic operations such as complement, union, intersection, and others with examples. Subsequently, we define two distance measures over these sets and illustrate a decision-making problem which uses the idea of type-2 multi-fuzzy sets. Furthermore, an application of a medical diagnosis system based on multi-criteria decision making of T2MFS is illustrated with a real-life case study

Intuitionistic Type-2 Fuzzy Set and Its Properties

Decision making under uncertainty describes situations that consider a profound lack of knowledge, where the functional form is completely unknown, and often, the relevant input and output variables are unknown as well. Data, being the vital input of decision making, contain a dissimilar level of imprecision that necessitates different approaches for making a proper and legitimate decision. In this article, we propose the concept of the intuitionistic type-2 fuzzy set (IT2FS). Several arithmetic operations on IT2FS such as union, intersection, complement, containment, etc., are defined, and the related algebraic properties of IT2FS are also studied. Subsequently, we define two new operators, namely the necessity operator and the possibility operator, to convert an IT2FS into an ordinary T2FS, and then discuss some of their basic properties. Moreover, in this study, two distance measures, the Hamming distance and Euclidian distance of IT2FS, are proposed, and their applications are illustrated with an example

Acoplamiento molecular para actividad trombólitica de algunos compuestos aislados de Clausena lansium.

La Clausena lansium (Familia- Rutaceae), comúnmente conocida como wampi o vampi, se encuentra en las tierras de barbecho o en terrenos baldíos en Bangladesh. Este estudio pretende hacer acoplamientos moleculares para identificar posibles afinidades de enlace de los fitocompuestos de Clausena lansium, específicamente Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid y Xanthotoxol en busca de la molecula principal de actividad trombolitica. El acoplamiento molecular realizado por Schrodinger ofreció un amplio rango de cocientes de acoplamiento que fueron para Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol -6.926, -4.041, -4.889 , -4.356, -3.007 and -5.816 respectivamente. Entre todos los compuestos fue Clausemarin B el que mostró el mejor coeficiente de acoplamiento. Por tanto Clausemarin B es el más eficaz para actividad trombolitica. En el futuro serán necesarias investigaciones in vivo para identificar la actividad trombolitica de los compuestos aisladosde Clausena lansium.Clausena lansium (Family- Rutaceae) is commonly known as wampee, is found in fallow lands throughout Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Clausena lansium, namely Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid and Xanthotoxol for searching of lead molecule for thrombolytic activity. A wide range of docking score found during molecular docking by Schrodinger. Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol showed the docking score -6.926, -4.041, -4.889 , -4.356, -3.007 and - 5.816 respectively. Among all the compounds Clausemarin B showed the best docking score. So, Clausemarin B is the best compounds for thrombolytic activity, as it possessed the best value in Molecular docking. Further in vivo investigation need to identify the thrombolytic activity of isolated compounds from Clausena lansium

Molecular docking for thrombolytic activity of some isolated compounds from Clausena lansium.

Clausena lansium (Family- Rutaceae) is commonly known as wampee, is found in fallow lands throughout Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Clausena lansium, namely Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid and Xanthotoxol for searching of lead molecule for thrombolytic activity. A wide range of docking score found during molecular docking by Schrodinger. Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol showed the docking score -6.926, -4.041, -4.889 , -4.356, -3.007 and -5.816 respectively. Among all the compounds Clausemarin B showed the best docking score. So, Clausemarin B is the best compounds for thrombolytic activity, as it possessed the best value in Molecular docking. Further in vivo investigation need to identify the thrombolytic activity of isolated compounds from Clausena lansium

Biochemical and computational approach of selected phytocompounds from Tinospora crispa in the management of COVID-19

A pandemic caused by the novel coronavirus (SARS-CoV-2 or COVID-19) began in December 2019 in Wuhan, China, and the number of newly reported cases continues to increase. More than 19.7 million cases have been reported globally and about 728,000 have died as of this writing (10 August 2020). Recently, it has been confirmed that the SARS-CoV-2 main protease (Mpro) enzyme is responsible not only for viral reproduction but also impedes host immune responses. The Mpro provides a highly favorable pharmacological target for the discovery and design of inhibitors. Currently, no specific therapies are available, and investigations into the treatment of COVID-19 are lacking. Therefore, herein, we analyzed the bioactive phytocompounds isolated by gas chromatography–mass spectroscopy (GC-MS) from Tinospora crispa as potential COVID-19 Mpro inhibitors, using molecular docking study. Our analyses unveiled that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules, with three of them exerting biological activity and warranting further optimization and drug development to combat COVID-19

Anthelmintic activity of Piper sylvaticum Roxb. (family: Piperaceae): In vitro and in silico studies

Abstract Background The present study was conducted to investigate the anthelmintic activity of methanol extract of Piper sylvaticum stem (MEPSS) in experimental model followed by in silico molecular docking study and ADME/T analysis. Methods Anthelmintic activity was determined by an aquarium worm (Tubifex tubifex). Then, molecular docking study was performed to identify compounds having maximum activity against TUBULIN-COLCHICINE enzymes by using Schrödinger-Maestro v 10.1 docking fitness. Additionally, ADME/T profiles were checked by Swiss ADME Analysis and Molinspiration Cheminformatics software. Results A preliminary phytochemical analysis of MEPSS revealed that it contained alkaloids, carbohydrates, flavonoids, tannins, and saponins. MEPSS exhibited a dose-dependent and statistically significant anthelmintic activity on aquarium worm (Tubifex tubifex).The best concentration of MEPSS for anthelmintic activity on Tubifex tubifex compare with reference standard Levamisole (1 mg/mL) is 11.90 mg/mL. On the other hand, our molecular docking study shows that piperine has the best fitness score of − 6.22 kcal/mol with TUBULIN-COLCHICINE enzyme among three major compounds of Piper sylvaticum. Moreover, predicted properties of all compounds were in the range to satisfy the Lipinski’s rule of five to be recognized as drug like potential. Conclusion Results of the present study confirmed potential anthelmintic activity of Piper sylvaticum stem extract and all compounds were found to be effective in computer aided drug design models

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), a contemporary coronavirus, has impacted global economic activity and has a high transmission rate. As a result of the virus’s severe medical effects, developing effective vaccinations is vital. Plant-derived metabolites have been discovered as potential SARS-CoV-2 inhibitors. The SARS-CoV-2 main protease (Mpro) is a target for therapeutic research because of its highly conserved protein sequence. Gas chromatography–mass spectrometry (GC-MS) and molecular docking were used to screen 34 compounds identified from Leucas zeylanica for potential inhibitory activity against the SARS-CoV-2 Mpro. In addition, prime molecular mechanics–generalized Born surface area (MM-GBSA) was used to screen the compound dataset using a molecular dynamics simulation. From molecular docking analysis, 26 compounds were capable of interaction with the SARS-CoV-2 Mpro, while three compounds, namely 11-oxa-dispiro[4.0.4.1]undecan-1-ol (−5.755 kcal/mol), azetidin-2-one 3,3-dimethyl-4-(1-aminoethyl) (−5.39 kcal/mol), and lorazepam, 2TMS derivative (−5.246 kcal/mol), exhibited the highest docking scores. These three ligands were assessed by MM-GBSA, which revealed that they bind with the necessary Mpro amino acids in the catalytic groove to cause protein inhibition, including Ser144, Cys145, and His41. The molecular dynamics simulation confirmed the complex rigidity and stability of the docked ligand–Mpro complexes based on the analysis of mean radical variations, root-mean-square fluctuations, solvent-accessible surface area, radius of gyration, and hydrogen bond formation. The study of the postmolecular dynamics confirmation also confirmed that lorazepam, 11-oxa-dispiro[4.0.4.1]undecan-1-ol, and azetidin-2-one-3, 3-dimethyl-4-(1-aminoethyl) interact with similar Mpro binding pockets. The results of our computerized drug design approach may assist in the fight against SARS-CoV-2

Biochemical and Computational Approach of Selected Phytocompounds from Tinospora crispa in the Management of COVID-19

A pandemic caused by the novel coronavirus (SARS-CoV-2 or COVID-19) began in December 2019 in Wuhan, China, and the number of newly reported cases continues to increase. More than 19.7 million cases have been reported globally and about 728,000 have died as of this writing (10 August 2020). Recently, it has been confirmed that the SARS-CoV-2 main protease (Mpro) enzyme is responsible not only for viral reproduction but also impedes host immune responses. The Mpro provides a highly favorable pharmacological target for the discovery and design of inhibitors. Currently, no specific therapies are available, and investigations into the treatment of COVID-19 are lacking. Therefore, herein, we analyzed the bioactive phytocompounds isolated by gas chromatography–mass spectroscopy (GC-MS) from Tinospora crispa as potential COVID-19 Mpro inhibitors, using molecular docking study. Our analyses unveiled that the top nine hits might serve as potential anti-SARS-CoV-2 lead molecules, with three of them exerting biological activity and warranting further optimization and drug development to combat COVID-19