1. INTRODUCTION:

Computer-aided drug design uses computational approaches to discover, develop, and analyze drugs and similar biologically active molecules. The ligand-based computer-aided drug discovery (LB-CADD) approach involves the analysis of ligands known to interact with a target of interest. These methods use a set of reference structures collected from compounds known to interact with a target of interest and analyze their 2D or 3D structures. The basic objective of these methods is to predict the nature and strength of binding of given molecule a target. The program renders the rover in a 3D environment. The program features the jet Propulsion Laboratory testing facility. Spirit’s landing site to explore. Data from the Spirit and Opportunity’s landing site must be downloaded externally from the Maestro website and imported into the program [1-3].

REVIEW OF LITERATURE:

Wieslaw swietnicki and et al used Maestro software to check the in silico analysis of bacteriophage tail tubular suggests a putative sugar binding site and a catalytic mechanism. In silico analysis was performed on the structure of a base tailplate protein gp31 from Klebsiella pneumonia bacteriophage KP32 (PDB: 5MU4) which shows activity towards maltose but not trehalose. The first region clearly favored maltose during the docking phase while the second one allowed for the energetically-equivalent binding of trehalose [4].

Carmen Diez-Simon and et al used Maestro software to check the comparison of volatile trapping techniques for the comprehensive analysis of food flavourings by gas chromatography-mass spectrometry. Trapping volatiles is a convenient way to study aroma compounds but it is important to determine which volatile trapping method is most comprehensive in extracting the most relevant aroma components when investigating complex food products. Comprehensiveness and repeatability were compared and SBSE proved particularly suitable for extracting components such as polysulfides, pyrazines and terpene alcohols [5].

Jae Myung Park and et al used Maestro software to check the A dodecapeptide selected by phage display as a potential theranostic probe for colon cancers. The peptide probe maintained binding affinity even after serum incubation. For therapeutic applications, this peptide probe was conjugated to hematoporphyrin, a photosensitizer, which showed a significantly enhanced cellular uptake and high photodynamic effect to kill tumor cells [6].

K. Wan Yusof and et al used Maestro software to check the developing a UiTM (Perlis) web-based of building space management system: A preliminary study in locating a specified space/room area using open source GIS tool. The preliminary result of the study shows that the spaces and room areas in the building can be mapped out digitaly and it can also be made available to be accessed through the web for the resident of the university [7].

Iman Mirmazloum and et al used Maestro software to check the oxidative stress level and dehydrin gene expression pattern differentiate two contrasting cucumber F1 hybrids under high fertigation treatment. According to RT-qPCR transcript levels of several antioxidant enzymes genes (ascorbate peroxidase, glytathione reductase and glutathione peroxidase) were significantly higher in ‘Joker’ compared to ‘Oitol’. Antioxidant capacity increased in both hybrids with strong characteristics differences favoring ‘Oital’ plants [8].

Minna Rahnasto-Rilla and et al used Maestro software to check the effects of galloflavin and ellagic acid on sirtuin 6 and its anti-tumorigenic activities. Ellagic acid increased the deacetylase activity of SIRT6 by up to 50-fold; it showed moderate inhibition of SIRT1-3. Galloflavin and ellagic acid showed anti-proliferative effects in Caco2. In this study, we showed that Galloflavin and Ellagic acid increased SIRT6 activity and decreased the expression of SIRT6 associated proteins involved in cancer development. Taken together, Galloflavin and Ellagic acid targeting SIRT6 activity may provide a new insight in the development ofanti-cancer therapy [9].

Susan M. Burden-Gulley and et al used Maestro software to check the A novel molecural diagnostic of glioblastomas: Detection of an extracellular fragment of protein tyrosine phosphate μ^1.2. The activity of the receptors tyrosine kinase is normally kept in check by the opposing activity of RPTPs such as PTPμ, which are important regulstors of adhesion-dependent signals [10].

H. Bounouria and et al used Maestro software to check the study of heavy metal assessment in the gharb plain along sebou river (morocco) using k0-NAA method triga mark II research reactor. The Ko-mothod activation analysis (ko-NAA) was used in order to determine the concentration of major and trace elements in sediment samples collected from different sites in the Gharb plain aong the Sebou River (morocco). The comparison with other sussequent studies on Sebou River gives an idea about the temporal evolution of heavy metal contamination at national scale [11].

Prasad G. Jamkhande and et al used Maestro software to check the software based approaches for drug designing and development: A systemtic review on commonly used software and its applications. Drug Discovery includes drug designing and development, is a multifarious and expensive endeavor, where least number of drugs that pass the clinical trials makes it to market. Novel software based methods such as molecular modeling; structure-based drug design, structure-based virtual screening, ligand interaction and molecular dynamics are considered to be powerful tool for investigation of pharmacokinetics and pharmacodyanamic properties of drug, and structural activity relationship between ligand and its target [12].

Sejal P. Gandhi and et al used Maestro software to check the computational data og phytoconstituents from Hibicus rosa-sinensis on various anti-obesity targets. Molecur docking analysis of twenty two phytoconstitient from rosa-sinensis, against seven targets of obesity like pancreatic, hormones as ghrelin, leptin and protein as SCH1and MCH is detailed in this data article. Chemical structures of phytoconstituents were downloaded from PubChem²[13].

Sabrin R.M. Ibrahim and et al used Maestro software to check the mangostanaxanthone VIIII, a new xanthone from Garcinia mangostana pericaps, α-amylase inhibitory activity, and molecular docking studies. The α-amylase inhibitory potential of the isolated metabolites was evaluated. The molecular docking study of the tested metabolites was estimated to shade up therational explanation of the α-amylaseinhibitory activity results [14].

Amin O. Elzupir and et al used Maestro software to check the inhibition of SARS-CoV-2 main protease 3CL^pro by means of α-ketoamideand pyridine-containing pharmaceuticals usingin silico molecular docking. This study report for the firsttime a compound that could be binding to ALA²⁸⁵, the new residue reaulting from genetic modification of 3CL^pro of SARS-CoV-2 that hasincresed its catalytic activity 3, 6-fold compare with its predecessor 3CL^proof SARA-CoV [15].

El-Sayed I. El-Desoky and et al Maestro software to check the synthesis, biological evaluation and in silico molecular docking of novel 1-hydroxy-naphthyl substituted heterocycles. Chalcone 3c, naphtyl pyrazoline 6b and hyadroxycoumarin 13 exhibited the higher activity as antioxidants. In silico molecular docking of pyrazoline 6b endorsed its proper binding at the active site of the 2EX6 enzyme which explains its potent antibacterial activity in comparison with standard ampicillin [16].

Raveendra Melanvanki and et al used Maestro software to check the investigation of interaction between boronic acids and sugar: effect of structural change of sugars on binding affinity using steady state and time resolved fluorecencespectroscopy and molecular docking. Binding interactions of boronic acid derivatives viz. 2-Methylphenylboronic acid (B1) and 3-Methoxyphenylboronic acid (B2) withmono saccharides (arabinose, fructose and galactose) and (sucrose, lactose and maltose) in aqueous condition at pH 7.4 by means of fluorescence spectroscopy is reported in the present investigation [17].

Massound Amanlou and et al used Maestro software to check the anti-HCV anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation study. Concurrent the viral entranceto the host cell, its antigen will exposure to antigen presentation cells (APC) and then identified by cytotoxic T lymphocytes (CTIs). But reducing the number of CD4and CD8 cells in COVID-19 patients prevents Tcell proliferation and activity [18].

Mohammed M. Matin and et al used Maestro software to check the novel mannopyranoside esters as sterol 14α-demethylase inhibitors: synthesis, PASS prediction, molecular docking, and pharmacokinetic studies. Te activity spectra analysis along with in vitro antimicrobial evaluation clearly indicated that those novel MDM estershad better antifungal activitites over antibacterial agents [19].

Andrea Barni and et al used Maestro software to check the Mini-factories for close-to-customer manufacturing of customized furniture: from concept to real demo. During demonstration, customers had the possibility to access the shop, configure their products and see them manufactured in quasi-real time. The promising results of the demonstration activity pave the way for further exploration of the proposed concept [20].

Shobana Sundar and et al used Maestro software to check the Molecular docking, molecular dynamics and MM/PBSA studies of FDA approved drugs for protein kinase a of Mycobacterium tuberculosis; application insights of drug repurposing. Tuberculosis (TB) is a deadly disease, and novel treatment strategies are required to combat it. Repurposing of existing Food and Drug Administration (FDA) approved drugs against Mycobacterium tuberculosis (Mtb) proteinscould be beneficial for TB treatment [21].

CONCLUSION:

After completion of review, it was found that the Meostro molecular docking softwear is very important for Insilico analysis of different pharmaceutical compounds, it aslo helps in determine the molecular interaction, Molecular binding.

This softwear also useful to check the pharmacological activity, therapeutic activities such as Anti tumorigenic activity, Anti HIV activity, Anti malarial activity ETC. After literature review it was seen that numbers of researchers suggest the Meostro softer used for molecular binding, molecular interaction and insilico analytical activity.

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Received on 06.11.2020 Modified on 18.11.2020

Asian J. Research Chem. 2021; 14(1):97-100.

DOI: 10.5958/0974-4150.2021.00017.1