Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Department of Biotechnology

The recent advantages in the thermal extraction schemes of Photovoltaic (PV) systems became more feasible for domestic applications. The amount of thermal energy available at the PV backside is the source for all thermal extraction/utilizing schemes. But, till now, there is no accurate theoretical method to find the module temperature by any mathematical equation to be adaptable for all the conditions. In this work, we introduced the soft computing based estimation using Adaptive Neural Fuzzy Inference Systems (ANFIS) tool in MATLAB to estimate the module temperature of PV with respect to change of irradiance, ambient temperature, and wind velocity. © 2020, Springer Nature Singapore Pte Ltd.

School of Bio Sciences and Technology

Vellore Campus

Department of Energy and Power Electronics

School of Electrical Engineering

Advances in Intelligent Systems and Computing Soft Computing for Problem Solving

PV Module Temperature Estimation by Using ANFIS

In this article, we have reported the preparation and structural characterization of a new Schiff base ligand (E)-2-(((2,6-difluorophenyl)imino)methyl)phenol (HSBL) and its derived metal(II) complexes [Cu(SBL)2] (1), [Ni(SBL)2] (2) and [Pd(SBL)2] (3). Using various analytical and spectroscopic techniques, their structural properties have been appraised. The proposed chemical structure of HSBL has been confirmed by Single crystal XRD studies. Bidentate characteristic of HSBL and its coordination with metal(II) ions through the oxygen atom of the phenolic group and nitrogen atom of the azomethine group have been evaluated from the FT-IR spectral analysis. Pd(II) complex of HSBL (complex 3) has found to be efficient in bringing about the interaction with DNA as well as BSA molecules. The in vitro antimicrobial studies have been demonstrated that complex 3 has a superior antimicrobial activity than HSBL, complexes 1 and 2. According to the values of zone of inhibition, the antimicrobial ability has been increased in the order of 3 &gt; 1 &gt; 2 &gt; HSBL. A significant decrease in percent cell viability has been suggested that complex 3 has remarkable cytotoxicity (IC50 = 15.7 ± 0.6 μg/mL) on human breast cancer (MCF-7) cells. Besides, their induced apoptosis pathway of cytotoxicity has been demonstrated by fluorescence staining techniques using AO/EB staining method. We hope this article will be very helpful for future research on the development of new anticancer agents. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.

World University root node

Department of Chemistry

School of Advanced Sciences

Applied Biochemistry and Biotechnology

Biological Impacts of Metal(II) Complex–Based DNA Probes Derived from Bidentate N,O Donor Schiff Base Ligand

Pseudomonas aeruginosa generally forms strong biofilm during chronic condition of wound. The whole mechanism of biofilm formation works in tandem with quorum sensing circuit of the organism in order to produce virulence. Here we report the draft genome sequence of two diabetic foot ulcer Pseudomonas aeruginosa isolates (VIT PC 7 and VIT PC 9) displaying homoserine lactone, rhamnolipid producing, biofilm phenotype and antibiotic resistance genes related to carbapenem, aminoglycoside, beta- lactamase and tetracycline resistance. The whole genome sequencing library was prepared according to the Oxford Nanopore's SQK-LSK108 kit protocol on Oxford Nanopore's Minion platform. The 7.1 Mb and 6.3-Mb draft genome sequence with GC content of 65.8% and 66.4% respectively provides insight into their resistance mechanism and virulence factors. © 2020 The Authors

Department of Integrative Biology

Fulltext

Data in Brief

Comparative data analsysis of two multi-drug resistant homoserine lactone and rhamnolipid producing Pseudomonas aeruginosa from diabetic foot infected patient

Psoriasis is a chronic inflammatory disease causing itching in the body and pain in the joints. Currently, no permanent cure is available at a commercial level for this disease. Genome wide association studies (GWAS) provide a deeper insight that helps in better understanding this disease and further possible cure of this disease. The major goal of the present study is to identify potent genetic targets of psoriasis disease using GWAS approach and identify drugs for repurposing. The methods used include GWAS catalogue, GeneAnalytics, canSAR protein annotation tool, VarElect, Drug bank, Proteomics database, ProTox software. By exploring GWAS catalogue, 126 psoriasis associated genes (PAG) were identified. 68 genes found to be druggable were obtained from canSAR protein annotation tool. Localization results depict that maximum genes are present in cytoplasmic cellular components. The superpathways obtained from GeneAnalytics resulted in involvement of these genes in the immune system, Jak/Stat pathway, Th17 and Wnt pathways. Two genes Interleukin 13 (IL13) and POLI are Food and Drug Administration (FDA) approved targets. Small compounds for these targets were analysed for drug-likeliness, toxicity and mutagenecity properties. The FDA approved drug pandel was found to possess desirable properties. The medications used for psoriasis causes mild to severe side effects and does not work well always. Hence we propose drug repurposing strategy to use existing drugs for new therapies. Therefore, the drug pandel could be explored further and repurposed to treat psoriasis. © 2020, King Abdulaziz City for Science and Technology.

VIT Unitversity

Department of Thermal and Energy Engineering

School of Mechanical Engineering

3 Biotech

Exploring genetic targets of psoriasis using genome wide association studies (GWAS) for drug repurposing

A growing incidence of drug resistance and tumour proliferation in non-small cell lung cancer escalates the urge for potential lead molecules. The plant-derived natural compounds have played a pivotal role in potential therapeutic agents owing to its versatility and low toxicity over the past decades. In this study, we have executed an in-silico based screening of 1574 natural compounds against the β-catenin via an integrated pharmacophore approach. Further investigation revealed that Mucronulatol and 7,4'-dihydroxyhomoisoflavanone possess a higher Glide score (−4.748 and −3.943 kcal/mol), binding affinity (−44.763 and −41.883 kcal/mol) alongside drug-likeness property than the iCRT5. Moreover, these compounds are reported to have cytotoxicity against lung cancer cell lines with an IC50 value of 6.74 µM and 8.99 µM respectively. Furthermore, dynamic studies were employed to determine the structural stability and we hope that the lead molecules proposed in this study could effectively inhibit the β-catenin pathway associated with NSCLC. © 2020 Informa UK Limited, trading as Taylor &amp; Francis Group.

Natural Product Research

Exploring natural compounds for the management of non-small cell lung cancer

Staphylokinase (SAK), the thrombolytic protein holds a significant position in treating cardiovascular diseases. However, the rapid clearance of this protein from blood circulation reduces its effective usage and as a strategy to increase the half-life of SAK, initial work focussed on lipid modification of SAK (LMSAK) in E. coli GJ1158. Effective purification of the modified protein achieved using the two step method of hydrophobic interaction chromatography in succession with size exclusion chromatography, indicated a better yield. The thrombolytic activity of purified LMSAK analysed in heated plasma agar plate assay confirmed an enhanced activity. In vivo pharmacokinetic studies carried out for determining the half-life of LMSAK in blood circulation of mice presented that it has a half-life of 43.3 ± 3.4 min which is much higher than 21.6 ± 2.1 min that of the unmodified version of SAK. The studies confirmed the role of lipid modification as a crucial factor in confirming in vivo stability of LMSAK and proves to be beneficial in therapeutic usage. © 2020 International Alliance for Biological Standardization

Biologicals

Purification and in vivo stability and half-life of recombinant lipid modified staphylokinase

The missense mutation in the mismatch repair gene MSH2 underlies in several hereditary cancers. In this study, we have detailed the disruptive mutation of G322D that overtly pathogenic and clinically relevant to the triple negative breast cancer (TNBC) on the basis of structural aspect to untangle the unknown factors. We systematically evaluated the conformational changes that undergo upon mutation from the annotation of intra-residual contacts, secondary structural arrangements and fold recognition through molecular dynamics simulation. At first, we interpreted the total of 88 intra-molecular interaction which is required minimally to maintain the native structural architecture. Adequately, the molecular dynamics approach is well contributed toward structural modification that takes places in C-terminal linking 290–294(L20), 339–347(L23-T16- α9-T17) and 373–395(α12-T19-20-L26-T21-L27-T22) in contrast to native 290–294(β8), 339–347(T20-α9-T21-α10), 373–395(α12-T19-20-L26-T21-L27-T22) provides a straightforward evidence that is underpinning destabilization and protein misfolding. Eventually, we have highlighted the structural debilitation of G322D in the core region of 303–309 L23-T18-α6 - L21- α8, and 326–330 α7-T19-L25 -α9 notably the connecting elements of secondary structural propensity (loop-helix) in folding pack were completely abrupted which helps to keep native form. Essentially, the information gained in our study on residual interaction and conformational transitions in the structure of mutant MSH2 provides valuable insights to understand the clues of functional behavior and also pave the way to frame suitable and improved therapeutical targets. Communicated by Ramaswamy H. Sarma. © 2019, © 2019 Informa UK Limited, trading as Taylor & Francis Group.

Journal of Biomolecular Structure and Dynamics

Structural debilitation of mutation G322D associated with MSH2 and their role in triple negative breast cancer

Over the years, phytochemical compounds have shown compelling evidences in exhibiting powerful antitumor properties. Moreover, due to the lack of safety and high cost of cancer therapies, opportunities are being sought out in these compounds as an alternative treatment modality. Therefore, in the present study, 1,574 compounds from NPACT library were examined to excavate potent and nontoxic anaplastic lymphoma kinase (ALK) inhibitors. Notably, two pharmacophore hypotheses (AAAHP and DDRRR) were generated using ligand-based and energy-based techniques, respectively, to eliminate false-positive prediction in database screening. Furthermore, molecular docking and Prime MM/GBSA analysis were performed on the screened compounds to examine inhibitory activity against ALK. The analysis revealed that the two hits, namely, NPACT00018 and NPACT01077, exhibited better docking scores, binding energies, and also ensured excellent drug-likeness properties than the reference compound, crizotinib. Finally, the results were subjected to molecular dynamics studies to gain insight into the stability of these compounds in the binding pocket of ALK protein. Indeed, the useful predictions generated by the present computational models are of immense importance and could further speed up the anticancer drug development in the near future. © 2020 International Union of Biochemistry and Molecular Biology, Inc.

Biotechnology and Applied Biochemistry

Discovery of anaplastic lymphoma kinase inhibitors from natural product library: A holistic in silico approach

Nanomaterials have been used in various applications such as sensors, biofuel cells and biodiesel production. Various nanomaterials provide a high surface area-to-volume ratio and can be fabricated with enzymes as sensors for assay and in electrodes for electricity generation in biofuel cells. The methods of nanomaterial synthesis, analytical techniques for loading of enzymes, and fabrication of enzymes with nanomaterial along with the effect of enzyme immobilization on its activity have been discussed. In this mini-review article we concentrate on the current trends leading to various effects on immobilization of enzymes with nanomaterial. We focus mainly on enzymes used in hydrolysis of lignocellulosic agro-waste to produce bioalcohols by a fermentation process and enzymes used in transesterification reactions for biodiesel production. The current status of nanomaterial as an integral part of sustainable enzymatic biofuel production is discussed. © 2017, © 2017 Informa UK Limited, trading as Taylor & Francis Group.

Department of Bio-Medical Sciences

Biofuels

Mini review on nanoimmobilization of lipase and cellulase for biofuel production

Background: The Human Genome Project has unleashed the power of genomics in clinical practice as a choice of individualized therapy, particularly in cancer treatment. Pharmacogenomics is an interdisciplinary field of genomics that deals with drug response, based on individual genetic makeup. Objective: The main genetic events associated with carcinogenesis activate oncogenes or inactivate tumor-suppressor genes. Therefore, drugs should be specific to inactivate or regulate these mutant genes and their protein products for effective cancer treatment. In this review, we summarize how polymedication decisions in cancer treatments based on the evaluation of cytochrome P450 (CYP450) polymorphisms are applied for pharmaco-genetic assessment of anticancer therapy outcomes. Results: However, multiple genetic events linked, inactivating a single mutant gene prod-uct, may be insufficient to inhibit tumor progress. Thus, genomics and pharmacogenetics directly influence a patient’s response and aid in guiding clinicians to select the safest and most effective combination of medications for a cancer patient from the initial prescrip-tion. Conclusion: This review outlines the roles of oncogenes, the importance of cytochrome P450 (CYP450) in cancer susceptibility, and its impact on drug metabolism, proposing combined approaches to achieve precision therapy. © 2020 Bentham Science Publishers.