Indian Institute of Technology Indore

About: Indian Institute of Technology Indore is a education organization based out in Indore, Madhya Pradesh, India. It is known for research contribution in the topics: Fading & Support vector machine. The organization has 1606 authors who have published 4803 publications receiving 66500 citations.

Investigation of various gram-positive bacteria for MICP in Narmada Sand, India

Abstract: In lieu of the conventional carbon-intensive and expensive cement-based ground improvement methods, microbially induced calcite precipitation (MICP) method has gained prominence recently as a susta...

Discovery of New Hydroxyethylamine Analogs Against 3CLpro Protein Target of SARS-CoV-2: Molecular Docking, Molecular Dynamics Simulation and Structure-Activity Relationship Studies

Abstract: A novel coronavirus, SARS-CoV-2 has caused a recent pandemic called COVID-19 and a severe health threat around the world. In the current situation, the virus is rapidly spreading worldwide, and the discovery of vaccine and potential therapeutics are critically essential. The crystal structure for main protease (Mpro) of SARS-CoV-2, 3-chymotrypsin-like cysteine protease (3CLpro) was recently made available and is considerably similar to previously reported SARS-CoV. Due to its essentiality in viral replication, it represents a potential drug target. Herein, computer-aided drug design (CADD) approach was implemented for the initial screening of 13 approved antiviral drugs. Molecular docking of 13 antivirals against 3-chymotrypsin-like cysteine protease (3CLpro) enzyme was accomplished and indinavir was described as a lead drug with a docking score of -8.824 and a XP Gscore of -9.466 kcal/mol. Indinavir possesses an important pharmacophore, hydroxyethylamine (HEA), and thus a new library of HEA compounds (>2500) was subjected to virtual screening that led to 25 hits with a docking score more than indinavir. Exclusively, compound 16 with docking score of -8.955 adhered to drug like parameters, and the Structure-Activity Relationship (SAR) analysis was demonstrated to highlight the importance of chemical scaffolds therein. Molecular Dynamics (MD) simulation studies carried out at 100ns supported the stability of 16 within the binding pocket. Largly, our results supported that this novel compound 16 binds to the domain I & II, and domain II-III linker of 3CLpro protein, suggesting its suitablity as strong candidate for therapeutic discovery against COVID-19. Lead compound 16 could pave incredible directions for the design of novel 3CLpro inhibitors and ultimately therapeutics against COVID-19 disease.

THE EFFECTS OF THE IONOSPHERE ON GROUND-BASED DETECTION OF THE GLOBAL 21 cm SIGNAL FROM THE COSMIC DAWN AND THE DARK AGES

Abstract: The American Astronomical Society. All rights reserved..Detection of the global H i 21 cm signal from the Cosmic Dawn and the Epoch of Reionization is the key science driver for several ongoing ground-based and future ground-/space-based experiments. The crucial spectral features in the global 21 cm signal (turning points) occur at low radio frequencies . In addition to the human-generated radio frequency interference, Earth's ionosphere drastically corrupts low-frequency radio observations from the ground. In this paper, we examine the effects of time-varying ionospheric refraction, absorption, and thermal emission at these low radio frequencies and their combined effect on any ground-based global 21 cm experiment. It should be noted that this is the first study of the effect of a dynamic ionosphere on global 21 cm experiments. The fluctuations in the ionosphere are influenced by solar activity with flicker noise characteristics. The same characteristics are reflected in the ionospheric corruption to any radio signal passing through the ionosphere. As a result, any ground-based observations of the faint global 21 cm signal are corrupted by flicker noise (or noise, where f is the dynamical frequency) which scales as (where ν is the frequency of radio observation) in the presence of a bright galactic foreground (, where s is the radio spectral index). Hence, the calibration of the ionosphere for any such experiment is critical. Any attempt to calibrate the ionospheric effects will be subject to the inaccuracies in the current ionospheric measurements using Global Positioning System (GPS) ionospheric measurements, riometer measurements, ionospheric soundings, etc. Even considering an optimistic improvement in the accuracy of GPS-total electron content measurements, we conclude that Earth's ionosphere poses a significant challenge in the absolute detection of the global 21 cm signal below 100 MHz.

Cobalt Metallogel Interface for Selectively Sensing l-Tryptophan among Essential Amino Acids

Abstract: The development of metallogels widens the span of sensing activity as it opens new opportunities to develop chemosensors through metal-ligand interactions. Herein, a new nitrile-substituted 1,3,5-tricarboxamide-based gelator G4 has been fabricated and shows aggregate-induced enhanced emission (AIEE) after gelation in the presence of water. A dimethylformamide (DMF) solution of the gelator shows rapid crystallization, but addition of water to a DMF solution of gelator G4 leads to gelation at room temperature. In addition, gelator G4 was used for the formation of metallogels, and among them, the cobalt metallogel has been found to be effective for sensing l-tryptophan in the gel state through the quenching of AIEE. Interestingly, the gel is also effective in sensing bovine serum albumin protein at the nanomolar level, which contains an l-tryptophan residue. The limit of detection of Co(II)G4 for selective sensing of tryptophan has been found to be 2.4 × 10-8 M. To the best of our knowledge, there have been no reports to date of a metallogel being utilized to discriminate and selectively sense an amino acid and a protein. The gelation properties of the organic gelator molecule and metallogels have been explored through various spectroscopic tools and physicochemical experiments.