Search Results - "Garg, Prabha"
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Structure-Based Virtual Screening to Discover Potential Lead Molecules for the SARS-CoV‑2 Main Protease
Published in Journal of chemical information and modeling (28-12-2020)“…The COVID-19 disease is caused by a new strain of the coronavirus family (SARS-CoV-2), and it has affected at present millions of people all over the world…”
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Machine learning-based modeling to predict inhibitors of acetylcholinesterase
Published in Molecular diversity (01-02-2022)“…Acetylcholinesterase enzyme is responsible for the degradation of acetylcholine and is an important drug target for the treatment of Alzheimer’s disease. When…”
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Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides
Published in Medical & biological engineering & computing (01-11-2021)“…The ubiquitous antimicrobial peptides (AMPs), with a broad range of antimicrobial activities, represent a great promise for combating the multi-drug resistant…”
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CRAFT: a web-integrated cavity prediction tool based on flow transfer algorithm
Published in Journal of cheminformatics (30-01-2024)“…Numerous computational methods, including evolutionary-based, energy-based, and geometrical-based methods, are utilized to identify cavities inside proteins…”
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Design, Synthesis, and biological evaluation of pyrazolo-benzothiazole derivatives as a potential therapeutic agent for the treatment of Alzheimer’s disease
Published in Medicinal chemistry research (01-11-2022)“…Alzheimer’s disease (AD) is a neurodegenerative age-related brain disease which diminishes learning and memory. Two main cholinesterases (ChEs), first…”
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Ultrasonic disruption of Pseudomonas putida for the release of arginine deiminase: Kinetics and predictive models
Published in Bioresource technology (01-06-2017)“…•Ultrasound-mediated ADI release from P. putida using machine learning techniques.•Satisfactory prediction of the responses implied the proficient capabilities…”
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Classification of Breast Cancer Resistant Protein (BCRP) Inhibitors and Non-Inhibitors Using Machine Learning Approaches
Published in Combinatorial chemistry & high throughput screening (01-01-2015)“…The breast cancer resistant protein (BCRP) is an important transporter and its inhibitors play an important role in cancer treatment by improving the oral…”
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Virtual autism among children: A leading hazard of gadget exposure and preventive measures
Published in Journal of education and health promotion (01-01-2024)Get full text
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Mycobacterium tuberculosis Glyceraldehyde-3-Phosphate Dehydrogenase (GAPDH) Functions as a Receptor for Human Lactoferrin
Published in Frontiers in cellular and infection microbiology (08-06-2017)“…Iron is crucial for the survival of living cells, particularly the human pathogen which uses multiple strategies to acquire and store iron. synthesizes high…”
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Synthesis and Antileishmanial activity of Piperoyl-Amino Acid Conjugates
Published in European journal of medicinal chemistry (01-08-2010)“…Based on reported antileishmanial activity of naturally occurring alkaloid piperine and amino acid esters, their conjugates were synthesized by the hydrolysis…”
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Classification of Human Pregnane X Receptor (hPXR) Activators and Non-Activators by Machine Learning Techniques: A Multifaceted Approach
Published in Combinatorial chemistry & high throughput screening (01-01-2016)“…The Human Pregnane X Receptor (hPXR) is a regulator of drug metabolising enzymes (DME) and efflux transporters (ET). The prediction of hPXR activators and…”
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Disruption of Pseudomonas putida by high pressure homogenization: a comparison of the predictive capacity of three process models for the efficient release of arginine deiminase
Published in AMB Express (03-10-2016)“…Disruption of Pseudomonas putida KT2440 by high-pressure homogenization in a French press is discussed for the release of arginine deiminase (ADI). The enzyme…”
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QSAR study of curcumine derivatives as HIV-1 integrase inhibitors
Published in Current computer-aided drug design (01-03-2013)“…A QSAR study was performed on curcumine derivatives as HIV-1 integrase inhibitors using multiple linear regression. The statistically significant model was…”
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Prediction of drug-resistance in HIV-1 subtype C based on protease sequences from ART naive and first-line treatment failures in North India using genotypic and docking analysis
Published in Antiviral research (01-11-2011)“…► DR genotyping of HIV isolates from therapy-naive and treatment-failures conducted. ► Docking of various PI drugs attempted on computational model of HIV…”
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Machine Learning Enables Accurate Prediction of Quinone Formation during Drug Metabolism
Published in Chemical research in toxicology (18-12-2023)“…Metabolism helps in the elimination of drugs from the human body by making them more hydrophilic. Sometimes, drugs can be bioactivated to highly reactive…”
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Probing the Molecular Basis of Cofactor Affinity and Conformational Dynamics of Mycobacterium tuberculosis Elongation Factor Tu: An Integrated Approach Employing Steered Molecular Dynamics and Umbrella Sampling Simulations
Published in The journal of physical chemistry. B (24-02-2022)“…The emergence of multidrug-resistant and extensively drug-resistant tuberculosis strains is the reason that the infectious tuberculosis pathogen is still the…”
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Deep learning-based prediction model for diagnosing gastrointestinal diseases using endoscopy images
Published in International journal of medical informatics (Shannon, Ireland) (01-09-2023)“…[Display omitted] •A large number of people worldwide suffer from gastrointestinal (GI) diseases for a variety of reasons.•Image-based classification models…”
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AndroPred: an artificial intelligence-based model for predicting androgen receptor inhibitors
Published in Journal of biomolecular structure & dynamics (21-09-2024)“…Androgen receptor (AR), a steroid receptor, plays a pivotal role in the pathogenesis of prostate cancer (PCa). AR controls the transcription of genes that help…”
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Artificial intelligence in intestinal polyp and colorectal cancer prediction
Published in Cancer letters (01-07-2023)“…Artificial intelligence (AI) algorithms and their application to disease detection and decision support for healthcare professions have greatly evolved in the…”
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Unlocking translational machinery for antitubercular drug development
Published in Trends in biochemical sciences (Amsterdam. Regular ed.) (01-03-2024)“…Targeting translational factor proteins (TFPs) presents significant promise for the development of innovative antitubercular drugs. Previous insights from…”
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