Drug Discovery

Computational drug discovery: molecular docking, virtual screening, QSAR, cheminformatics and AI-guided drug design.

Antibiotic Resistance | Bioinformatics | COVID-19 | Covid-19 News | Drug Discovery | News | SARS-CoV-2 | Trending | Virus
Researchers at Mount Sinai Determined the Crystal Structure of the SARS-CoV-2 Key Enzyme, Paving the Way for Novel Antivirals
ByDr. Tamanna Anwar September 11, 2022October 22, 2026
Researchers at Mount Sinai have solved the high-resolution crystal structure of a critical enzyme of SARS-CoV-2, leading to the development of new antivirals. This is a major breakthrough in the battle against SARS-CoV-2 and could lead to the development of new and more effective antiviral drugs. SARS-CoV-2 is a deadly virus that has killed millions…
Read More Researchers at Mount Sinai Determined the Crystal Structure of the SARS-CoV-2 Key Enzyme, Paving the Way for Novel Antivirals
Bioinformatics | Database | Drug Discovery | Education | GWAS | News | Paper Summary | Trending
Genebass – A New Online Resource that Links Rare Genetic Variants to Human Health and Disease
BySrishti Sharma August 20, 2022October 22, 2026
Researchers at the Broad Institute of MIT and Harvard have developed Genebass, a free online browser that will assist other researchers and clinicians studying specific genes in linking rare genetic variants with disease phenotypes. Genebass represents a genetic analysis of nearly 400,000 people from the UK Biobank and may assist researchers in identifying potential novel therapeutic…
Read More Genebass – A New Online Resource that Links Rare Genetic Variants to Human Health and Disease
Bioinformatics | Cancer Research | Computational Models | COVID-19 | Covid-19 News | Drug Discovery | News | OMICS | Paper Summary | Trending
iLINCS: An Integrative Web-based Platform for Analysis of OMICS Data and Signatures of Cellular Perturbations
ByTanveen Kaur August 15, 2022October 22, 2026
The University of Cincinnati scientists introduce iLINCS, an integrative web-based platform for analyzing OMICS data and markers of cellular disturbances. The user-friendly interfaces of iLINCS allow for the execution of sophisticated omics signature analyses, mechanism of action analysis, and signature-driven drug repositioning. Only a few systems exist that combine several omics data types, bioinformatics tools,…
Read More iLINCS: An Integrative Web-based Platform for Analysis of OMICS Data and Signatures of Cellular Perturbations
Bioinformatics | Computational Models | Drug Discovery | Infectious Diseases | News | Trending | Virus
Scientists Propose a Computational Approach for Predicting HIV Combination Therapies to Prevent Viral Escape and Rebound
ByDr. Tamanna Anwar August 9, 2022October 22, 2026
Scientists from the University of Washington, the Max Planck Institute for Dynamics and Self-Organization, and the University of Cologne carefully formulated combination therapies from broadly neutralizing antibodies (bNAbs) which may aid in the treatment of HIV while reducing the possibility that the virus will evolve to “escape” treatment. The study published in the journal eLife…
Read More Scientists Propose a Computational Approach for Predicting HIV Combination Therapies to Prevent Viral Escape and Rebound
AMR Alert | Bioinformatics | Drug Discovery | Infectious Diseases | News | Structural Biology | Trending
Scientists Discover a Novel Two-step Mechanism the Antibiotic ‘Teixobactin’ uses to Kill Antibiotic-Resistant Bacteria
ByDr. Tamanna Anwar August 7, 2022October 22, 2026
The University of Utrecht scientists have uncovered a novel mechanism for how drugs eradicate antibiotic-resistant bacteria. Teixobactin, an antibiotic, kills bacteria by destroying their cell membrane and preventing the formation of their cell walls, according to research published in the peer-reviewed journal Nature. The new understandings might make it possible to create potent antibiotics that…
Read More Scientists Discover a Novel Two-step Mechanism the Antibiotic ‘Teixobactin’ uses to Kill Antibiotic-Resistant Bacteria
Bioinformatics | Corona Virus | COVID-19 | Deep Learning | Drug Discovery | Health | Infectious Diseases | News | Paper Summary | Structural Biology | Trending
Hierarchical Structure-based Virtual Screening Targeting SARS-CoV-2 Endoribonuclease
BySrishti Sharma August 6, 2022October 22, 2026
Since the first appearance of SARS-CoV-2, a number of in silico methods have been employed to discover possible drugs that can target the viral life cycle. Scientists from National Research Centre, Egypt, targeted Endoribonuclease, which is one of the crucial non-structural proteins since it is responsible for processing viral RNA to escape detection by the…
Read More Hierarchical Structure-based Virtual Screening Targeting SARS-CoV-2 Endoribonuclease
AI | Algorithm | Bioinformatics | Database | Drug Discovery | News | Structural Biology | Tools | Trending
Deepmind’s AlphaFold Predicted the Structures of all the Proteins Known to Science, Expanding the AlphaFold DB by Over 200x
ByDr. Tamanna Anwar July 30, 2022October 22, 2026
The AlphaFold Protein Structure Database, created by DeepMind and EMBL’s European Bioinformatics Institute (EMBL-EBI), makes AI-enabled predictions of the 3D structures of nearly all cataloged proteins available to the scientific community for free and without restrictions. It has been a year since AlphaFold was made available for free worldwide distribution and AlphaFold Protein Structure Database…
Read More Deepmind’s AlphaFold Predicted the Structures of all the Proteins Known to Science, Expanding the AlphaFold DB by Over 200x
Biotech | Cancer Research | Drug Discovery | News | Trending
Replication Stalling and Recovery within Repetitive DNA Plays a Role in the Onset of Cancer
ByDr. Tamanna Anwar July 20, 2022October 22, 2026
Scientists have discovered that repetitive DNA sequences or non-coding DNA, thought to be harmless and inactive, may play a role in the onset of cancer. Repeated DNA is a significant potential source of endogenous replication stress and has shown how the eukaryotic replisome can handle challenging sequences. The research demonstrates how non-coding DNA might obstruct…
Read More Replication Stalling and Recovery within Repetitive DNA Plays a Role in the Onset of Cancer
AI | Algorithm | Bioinformatics | Computational Models | Deep Learning | Drug Discovery | News | Paper Summary | Structural Biology | Tools
A Geometric Deep-Learning Model ‘EquiBind’ the Fastest Computational Molecular Docking Model
ByTanveen Kaur July 17, 2022October 22, 2026
MIT researchers have developed a geometric deep-learning model, EquiBind, which is 1,200 times faster than one of the fastest computational molecular docking models currently in use, QuickVina2-W, for effective binding of drug-like substances to proteins. One of the main challenges in drug discovery is to predict the binding properties of a drug-like chemical to a…
Read More A Geometric Deep-Learning Model ‘EquiBind’ the Fastest Computational Molecular Docking Model
Bioinformatics | Cancer Research | Chronic Diseases | Drug Discovery | Health | News | Structural Biology | Trending
A Novel Protein Structure ‘SHOC2-MRAS-PP1C (SMP) Complex’ Offers ways to Target RAS-Pathway Proteins in Cancer
ByDr. Tamanna Anwar July 15, 2022October 22, 2026
A significant complex of RAS-pathway proteins’ structure has been determined by scientists, revealing how known disease-causing mutations result in illness and offering prospective novel binding sites for cancer drugs. One of the most well-known causes of cancer is RAS gene mutations, which result in tumor formation in about 25% of cancer patients. Broad Institute of…
Read More A Novel Protein Structure ‘SHOC2-MRAS-PP1C (SMP) Complex’ Offers ways to Target RAS-Pathway Proteins in Cancer
AI | Bioinformatics | Drug Discovery | News | OMICS | Paper Summary | Tools | Trending
PandaOmics: An AI-Enabled Biological Target Discovery Platform Used to Identify Amyotrophic Lateral Sclerosis Therapeutic Targets
ByTanveen Kaur July 12, 2022October 22, 2026
Scientists use PandaOmics, an AI-driven target identification tool, to examine the expression profiles of direct iPSC-derived motor neurons from Answer Amyotrophic Lateral Sclerosis (ALS) and central nervous system samples from public datasets. The discovery of novel therapy regimens is urgently needed for the severe neurological disease amyotrophic lateral sclerosis, which has unclear pathophysiology. Here, the…
Read More PandaOmics: An AI-Enabled Biological Target Discovery Platform Used to Identify Amyotrophic Lateral Sclerosis Therapeutic Targets
AMR Alert | Bioinformatics | Cell | Drug Discovery | Health | Infectious Diseases | News | Trending
Developing a New Class of Antibiotics Based on the Understanding of how Bacteria Adhere to Host Cells
ByDr. Tamanna Anwar July 2, 2022October 22, 2026
Researchers from University Hospital Frankfurt and Goethe University Frankfurt have figured out how bacteria attach to host cells, paving the way to create a new class of antibiotics. The initial and most significant step in the development of infectious diseases is always the attachment of bacteria to host cells. Infectious pathogens use this adhesion first…
Read More Developing a New Class of Antibiotics Based on the Understanding of how Bacteria Adhere to Host Cells
Drug Discovery | Infectious Diseases | News | Trending
Scientists Elucidate How Bacteria Communicate Their Way To Causing Infection
ByDr. Tamanna Anwar June 15, 2022October 22, 2026
Scientists at Oregon State University revealed how bacteria communicate their way to causing infection. The researchers discovered proteins that prevent a bacterial cell from being misled by its own communications, allowing it to wait for group communication instead. The research highlights the functional importance of antiactivators in the maintenance of group-level signaling and tests long-held…
Read More Scientists Elucidate How Bacteria Communicate Their Way To Causing Infection
Bioinformatics | Cancer Research | Drug Discovery | News | NGS | RNA-Seq | Structural Biology | Trending
Scientists Synthesize a New Molecule with the Ability to Kill a Broad Spectrum of Hard-to-Treat Cancers
ByDr. Tamanna Anwar June 14, 2022October 22, 2026
Scientists have developed ERX-41, a potent therapeutic drug with a well-defined molecular target (Lysosomal Acid Lipase, LAL) and mechanism of action (disruption of protein folding and production of ER stress) that could be useful in the treatment of patients with multiple solid cancers (Hard to Treat Cancers). Scientists from the University of Texas, Dallas synthesized…
Read More Scientists Synthesize a New Molecule with the Ability to Kill a Broad Spectrum of Hard-to-Treat Cancers
Bioinformatics | COVID-19 | Drug Discovery | Gene Expression | Genomics | GWAS | Machine Learning | News | OMICS | Paper Summary | Trending
Transcriptome-Wide Association Studies Integrated with 3D Genomic and Epigenomic Data used to Improve Target Gene Discovery and Drug Repurposing
ByTanveen Kaur June 13, 2022October 22, 2026
Scientists from Pennsylvania State University integrated 3D genomic and epigenomic data with transcriptome-wide association studies data to improve gene expression predictions. The researchers propose an integrative method PUMICE that integrates 3D genomic and epigenomic data with expression quantitative trait loci (eQTL) to predict gene expressions more accurately. An extension of the method PUMICE +, also combines transcriptome-wide…
Read More Transcriptome-Wide Association Studies Integrated with 3D Genomic and Epigenomic Data used to Improve Target Gene Discovery and Drug Repurposing
Bioinformatics | Drug Discovery | Machine Learning | Network Modeling | Neural Network | News | Paper Summary | Trending
Scientists Develop a Novel Probabilistic Generative Model ‘RaptGen’ for Aptamer Generation
ByDr. Tamanna Anwar June 10, 2022October 22, 2026
Scientists from the Graduate School of Advanced Science and Engineering at Waseda University, Japan, developed RaptGen, a variational autoencoder for in silico aptamer generation. RaptGen takes advantage of a profile hidden Markov model decoder to address motif sequences efficiently. The model could accelerate nucleic-acid-based therapeutics. Nucleic acid aptamers are created by an in vitro molecular evolution…
Read More Scientists Develop a Novel Probabilistic Generative Model ‘RaptGen’ for Aptamer Generation
Bioinformatics | Cancer Research | Computational Models | Drug Discovery | News | Trending
Scientists Develop a Novel Approach for Early Disease Diagnosis Using DNA Droplets
ByDr. Tamanna Anwar June 6, 2022October 22, 2026
Scientists at Tokyo Tech have produced computational DNA droplets that can recognize specific patterns in tumor biomarker microRNA sequences by merging the technologies of DNA droplets and DNA computing. When integrated into biomolecular robots and artificial cells, the technology will have potential applications in cancer diagnosis, drug resistance analysis, and residual tumor detection. DNA droplets…
Read More Scientists Develop a Novel Approach for Early Disease Diagnosis Using DNA Droplets
Cancer Research | Drug Discovery | News | Structural Biology | Trending
Scientists Discover How Protein Production is Regulated to Keep the Cells Healthy
ByDr. Tamanna Anwar June 1, 2022October 22, 2026
Scientists from Cold Spring Harbor Laboratory (CSHL) have discovered a key process which shows how protein production is regulated to keep the cells healthy. Scientists believe that this mechanism is common in many different species and that it could one day aid in the creation of new microRNA-based medical therapeutics. Proteins are made in cells…
Read More Scientists Discover How Protein Production is Regulated to Keep the Cells Healthy
Antibiotic Resistance | Biotech | Drug Discovery | News | Trending
Scientists Identify New Mechanism in Small Peptide that Shows Huge Potential to Treat Antibiotic-Resistant Bacteria
ByDr. Tamanna Anwar May 28, 2022October 22, 2026
Scientists used neutrons to learn more about how aurein 1.2, an antimicrobial peptide (AMP) that attacks bacteria’s membranes, kills antibiotic-resistant bacteria. The research will be crucial in identifying and developing more efficient and cost-effective AMPs. Antibiotic drugs have saved countless lives by preventing and treating bacterial infections since the discovery of penicillin more than 90…
Read More Scientists Identify New Mechanism in Small Peptide that Shows Huge Potential to Treat Antibiotic-Resistant Bacteria
Bioinformatics | Corona Virus | COVID-19 | Covid-19 News | Drug Discovery | News | Structural Biology | Trending
Scientists Develop Hybrid Molecules by Drug Repurposing in an Effort to Design New Drugs to Treat Covid-19
ByDr. Tamanna Anwar May 26, 2022October 22, 2026
Controlling the spread of the highly contagious disease and protecting human health requires developing new medications that stay effective against growing COVID-19 variations. After spending more than two years studying SARS-CoV-2, the virus that causes COVID-19, the researchers at the Department of Energy’s (DOE) Oak Ridge National Laboratory (ORNL) are designing and testing small-molecule antivirals…
Read More Scientists Develop Hybrid Molecules by Drug Repurposing in an Effort to Design New Drugs to Treat Covid-19
AI | Bioinformatics | Drug Discovery | Facts | Machine Learning | Trending
The Future of Medicine is Here: Top Tech Transforming Drug Discovery
ByAnjali Soni May 24, 2022October 22, 2026
The advent of technological advances such as artificial intelligence (AI), machine learning (ML), automation, robotics, etc., has accelerated the pace of drug discovery as well as the constancy maintained by the automated procedure reduces human errors and provides improved data quality. The goal of drug discovery and development is to bring new medicines to patients…
Read More The Future of Medicine is Here: Top Tech Transforming Drug Discovery
Bioinformatics | COVID-19 | Covid-19 News | Drug Discovery | News | Paper Summary
Scientists Revealed the Human Genetic Epidemiology of the COVID-19 Disease
ByTanveen Kaur May 12, 2022October 22, 2026
Scientists from the University of Helsinki, Broad Institute, and Harvard Medical School have revealed the human genetic epidemiology of the COVID-19 disease caused by SARS-CoV-2. The study indicates that the genetic association studies have been particularly fast in conveying new genetic signals underlying COVID-19 severity and disease susceptibility and can advance the treatment significantly. Human…
Read More Scientists Revealed the Human Genetic Epidemiology of the COVID-19 Disease
AI | Algorithm | AMR Alert | Chemoinformatics | Drug Discovery | Health | News
Artificial Intelligence Based ‘Waste-to-Valuable’ Algorithm for Repurposing Chemical Wastes into Useful Drugs
ByDr. Tamanna Anwar May 7, 2022October 22, 2026
The widespread use of computational waste-to-value algorithms can speed up the productive reuse of chemicals that would otherwise incur storage or disposal expenses or even pose environmental risks. Scientists from the Ulsan Institute of Science and Technology, Republic of Korea, have developed an innovative strategy to repurpose waste chemicals into usable products using artificial intelligence…
Read More Artificial Intelligence Based ‘Waste-to-Valuable’ Algorithm for Repurposing Chemical Wastes into Useful Drugs
Bioinformatics | Corona Virus | COVID-19 | Covid-19 News | Drug Discovery
Repurposing FDA Approved Asthma Drug to Block Crucial SARS-CoV-2 Protein
ByDr. Tamanna Anwar May 2, 2022October 22, 2026
In a new study by scientists from the Indian Institute of Science (IISc), repurposing a drug used to treat asthma and allergies has been shown to bind and block a critical protein produced by the virus SARS-CoV-2, reducing viral replication in human immune cells. The US Food and Drug Administration (FDA) approved drug, montelukast, has…
Read More Repurposing FDA Approved Asthma Drug to Block Crucial SARS-CoV-2 Protein
AMR Alert | Antibiotic Resistance | COVID-19 | Covid-19 News | Drug Discovery | Paper Summary | Precision Medicine
Benefits and Challenges of ‘One-Size-Fits-All’ Anti-Tuberculosis Treatment Strategies
ByTanveen Kaur May 1, 2022October 22, 2026
An expert scientist affiliated with the Center for Discovery and Innovation and a colleague from Harvard T.H. Chan School of Public Health discussed the challenges and priorities in the anti-tuberculosis treatment strategies and drug development. The study published in Nature Reviews Microbiology this week suggests that the preclinical and clinical anti-tuberculosis treatment methodologies depicted in…
Read More Benefits and Challenges of ‘One-Size-Fits-All’ Anti-Tuberculosis Treatment Strategies
Biotech | Drug Discovery | Featured | News | Trending
Scientists from Scripps Research Developed a New Technique ‘CATCH’ to Pinpoint Where Drug Molecules Hit Their Targets in the Body
ByDr. Tamanna Anwar April 30, 2022October 22, 2026
The new approach, developed by Scripps Research experts, has the potential to speed up the development of numerous novel drugs. Scripps Research scientists have developed a method for imaging where drugs hit their targets in the body across several tissues and with greater precision than ever before. The novel technique has the potential to become…
Read More Scientists from Scripps Research Developed a New Technique ‘CATCH’ to Pinpoint Where Drug Molecules Hit Their Targets in the Body
Bioinformatics | Data Science | Drug Discovery | Featured | News | Paper Summary | Trending
FDA-Approved Drugs Repurposing for Treating Alzheimer’s Disease using Hierarchical Cluster Analysis of Behavioral Profiles
ByTanveen Kaur April 27, 2022October 22, 2026
Scientists from Brown University identified the novel usage of FDA-approved drugs by cluster analysis of behavioral profiles for the treatment of neurodegenerative disorders by utilizing CsA-type drugs, which are known to impact the neural system. The study suggests that drugs with ‘CsA-type’ behavioral profiles are potential candidates for preventing and treating Alzheimer’s disease. Repurposing FDA-approved…
Read More FDA-Approved Drugs Repurposing for Treating Alzheimer’s Disease using Hierarchical Cluster Analysis of Behavioral Profiles
AMR Alert | Antibiotic Resistance | Biomedical Engineering | Drug Discovery | Featured | Health | News | Trending
Engineered Bacteria Prevent Antibiotics from Harming the Beneficial Gut Microbes
ByDr. Tamanna Anwar April 19, 2022October 22, 2026
Antibiotic-degrading microbes could help avoid opportunistic infections and reduce antibiotic resistance. Antibiotic-induced changes in the gut microbiota have been linked to a variety of metabolic and inflammatory illnesses, as well as an increased risk of subsequent infections and the development of antibiotic resistance. Scientists from Massachusetts Institute of Technology designed and evaluated the in vivo…
Read More Engineered Bacteria Prevent Antibiotics from Harming the Beneficial Gut Microbes
AMR Alert | Bioinformatics | Drug Discovery | News | Phylogenetic Analysis | Trending
Vanderbilt University Researchers have Developed a Novel Method to Target Potentially Undiscovered Beneficial Therapeutic Chemicals
ByDr. Tamanna Anwar April 8, 2022October 22, 2026
A project coordinated by a group of researchers from the Eichman lab and the Evolutionary Studies Initiative on the research of chemical compounds produced by bacteria was just published in mBio. The group was particularly interested in a class of compounds known as natural products. These substances are created by an organism for a specific…
Read More Vanderbilt University Researchers have Developed a Novel Method to Target Potentially Undiscovered Beneficial Therapeutic Chemicals
AMR Alert | Bioinformatics | Biotech | Drug Discovery | Health | News | Structural Biology
Tiny Bacterial Nonribosomal Peptide Synthetases Could Aid in the Development of Novel Medicines
ByDr. Tamanna Anwar April 5, 2022October 22, 2026
Researchers from McGill University collaborated with the Canadian Light Source (CLS) at the University of Saskatchewan to unlock the full potential of small biological machinery that can significantly influence human health. Nonribosomal peptide synthetases (NRPSs), referred to as machines, are large modular enzymes that synthesize secondary metabolites and natural products essential for the production of…
Read More Tiny Bacterial Nonribosomal Peptide Synthetases Could Aid in the Development of Novel Medicines
AI | Bioinformatics | Computational Models | Data Science | Deep Learning | Drug Discovery | Featured | News | Paper Summary | Structural Biology | Tools | Trending
A Deep Learning Model ‘AF2complex’ for Predicting Protein Complex Structures and Protein-Protein Interactions
ByDr. Tamanna Anwar April 2, 2022October 22, 2026
Scientists from the Center for the Study of Systems Biology, Atlanta, in collaboration with the Georgia Institute of Technology, Atlanta, and Oak Ridge National Laboratory, Oak Ridge, USA, have introduced a new method, ‘AF2complex’, in which AlphaFold2 (AF2) can be used to predict protein complex structure and protein-protein interactions. It is expected to provide significant…
Read More A Deep Learning Model ‘AF2complex’ for Predicting Protein Complex Structures and Protein-Protein Interactions
Bioinformatics | Cancer Research | Computational Models | Drug Discovery | News | Paper Summary | Precision Medicine | Tools | Trending
Scientists Discover the Landscape of Receptor-Mediated Precision Cancer Combination Therapy through a Single-Cell Perspective
ByTanveen Kaur April 1, 2022October 22, 2026
Scientists from the National Cancer Institute, Bethesda, and the University of Maryland have developed a computational tool to determine gene-target combinations for personalized cancer therapies. The tool has the potential to aid in the creation of novel combinatorial treatments for cancer patients. For mining a vast cohort of single-cell transcriptomics information, the scientists utilize combinatorial…
Read More Scientists Discover the Landscape of Receptor-Mediated Precision Cancer Combination Therapy through a Single-Cell Perspective
Bioinformatics | Cancer Research | Cell | Drug Discovery | Featured | News | OMICS | Precision Medicine | RNA-Seq | Tools | Trending
A New Tool ‘FORALL’ for Profiling Multi-Omics and Drug Response in Childhood Acute Lymphoblastic Leukemia
ByDr. Tamanna Anwar March 31, 2022October 22, 2026
In a report published in Nature Communications, researchers from the Department of Oncology-Pathology at Karolinska Institutet, Sweden established a cell line resource dataset and analysis tool ‘Functional Omics Resource of ALL (FORALL)’ that could be used to uncover the features that make specific leukemias vulnerable to new forms of targeted medicines. The researchers used proteomics,…
Read More A New Tool ‘FORALL’ for Profiling Multi-Omics and Drug Response in Childhood Acute Lymphoblastic Leukemia
Bioinformatics | Drug Discovery | Featured | Genomics | News | NGS | OMICS | Precision Medicine | Tools | Trending
Scientists at Garvan Institute Developed a Single Test for Over 50 Genetic Diseases, Cutting Diagnosis Time from Decades to Days
ByDr. Tamanna Anwar March 11, 2022October 22, 2026
Garvan Institute researchers have demonstrated how new genomic sequencing technologies might help individuals with uncommon neurological and neuromuscular conditions avoid a “diagnostic odyssey.” – A single DNA test capable of screening a patient’s genome for over 50 genetic neurological and neuromuscular diseases (e.g., Huntington’s disease, muscular dystrophies, and fragile X syndrome) has been developed. -…
Read More Scientists at Garvan Institute Developed a Single Test for Over 50 Genetic Diseases, Cutting Diagnosis Time from Decades to Days
AMR Alert | Antibiotic Resistance | Bioinformatics | Biotech | COVID-19 | Covid-19 News | Drug Discovery | Trending
A Unique Lysin Capable of Killing Multidrug-Resistant Bacteria Discovered by SMART Researchers
ByDr. Tamanna Anwar March 10, 2022October 22, 2026
Antimicrobial activity of novel lysin Abp013 against Acinetobacter baumannii and Klebsiella pneumoniae has been demonstrated. Scientists from the Antimicrobial Resistance (AMR) Interdisciplinary Research Group at the Singapore-MIT Alliance for Research and Technology (SMART), MIT’s research enterprise in Singapore, have discovered Abp013, a novel phage lysin that might be utilized as an antibacterial agent against two…
Read More A Unique Lysin Capable of Killing Multidrug-Resistant Bacteria Discovered by SMART Researchers
Bioinformatics | Corona Virus | COVID-19 | Covid-19 News | Drug Discovery | RNA-Seq | Sequencing | Trending
Targeted Enzymes Knock Down Viral RNA
ByDr. Tamanna Anwar March 3, 2022October 22, 2026
The team of researchers led by the Technical University of Munich (TUM) was able to destroy the genetic code of SARS-CoV-2 by using particular enzymes, shortly after the virus had invaded the cell. The data might be utilized to design a novel COVID-19 treatment. The building instructions for proteins and other compounds are found in…
Read More Targeted Enzymes Knock Down Viral RNA
AI | Bioinformatics | Drug Discovery | Machine Learning | Neural Network | News | Trending
Artificial Intelligence Algorithm Created for ‘Inverse Molecular Designing’ Determines Structure from Function
ByDr. Tamanna Anwar March 1, 2022October 22, 2026
According to recent research published in Nature Communications, a new AI algorithm creates novel compounds based on desired properties. Researchers are searching for innovative chemicals in a variety of fields, including health, battery research, and materials science. They can typically forecast the necessary chemical and physical features in great precision during this process, down to…
Read More Artificial Intelligence Algorithm Created for ‘Inverse Molecular Designing’ Determines Structure from Function
Bioinformatics | Cancer Research | Drug Discovery | News | Tools
Simulating Directed Evolution With A New Computational Tool
ByDr. Tamanna Anwar February 26, 2022October 22, 2026
The researchers from Curtin University, Australia, and the University of Western Australia developed a system to carry out the complete process of directed evolution in silico. Thanks to revolutionary software that mimics evolution, the building blocks of life-saving treatments might be produced in days rather than years. According to the research published this week in…
Read More Simulating Directed Evolution With A New Computational Tool
Bioinformatics | Cancer Research | Drug Discovery | Machine Learning | News | OMICS | Sequencing
Scientists Applied Machine Learning to Predict Therapeutic Response in Gastric Cancer
ByDr. Tamanna Anwar February 24, 2022October 22, 2026
The researchers at the Mayo Clinic Cancer Center in Florida, in a recent study published in Nature Communications, validate the use of genetic sequencing to predict whether patients with gastric cancer would benefit from chemotherapy or immunotherapy. Gastric cancer is one of the significant reasons for cancer-related deaths worldwide. Most patients with gastric cancer receive…
Read More Scientists Applied Machine Learning to Predict Therapeutic Response in Gastric Cancer
AMR Alert | Antibiotic Resistance | Bioinformatics | Drug Discovery | News | Structural Biology
Scientists Discover How Superbugs Employ Mirror Images To Develop Antibiotic Resistance
ByDr. Tamanna Anwar February 22, 2022October 22, 2026
Scientists from the Duke University with collaborators at the University of Connecticut are aiming to create novel enzyme inhibitors to combat Methicillin-resistant Staphylococcus aureus (MRSA). The researchers revealed how a single small mutation affects therapeutic efficacy in a study published in PLOS Computational Biology. Antimicrobial resistance is an important public health issue worldwide. New resistance…
Read More Scientists Discover How Superbugs Employ Mirror Images To Develop Antibiotic Resistance
Bioinformatics | Cancer Research | Data Science | Drug Discovery | News | Structural Biology | Trending
Determining How Proteins Identify Their Binding Partners Inside Cells
ByDr. Tamanna Anwar February 21, 2022October 22, 2026
Scientists from MIT probed into how proteins recognize and bind to one another, informing drug treatments for cancer. A single cell, despite its small size, has billions of molecules that buzz around and bond to one another, performing critical tasks. About 20,000 proteins are encoded in the human genome, the majority of which interact with…
Read More Determining How Proteins Identify Their Binding Partners Inside Cells
Bioinformatics | COVID-19 | Covid-19 News | Database | Drug Discovery | Structural Biology | Trending
Scientists Discovered a New Protein Group that Serves Critical Function in Nature
ByDr. Tamanna Anwar February 17, 2022October 22, 2026
Researchers from Göttingen University have found a protein switch that controls enzymes in pathogens. An allosteric lysine–cysteine redox switch with a covalent NOS bridge modulates enzyme activity in response to redox changes. Proteins are the “workhorses” of all living cells and the chemical foundation of life. These little machines are required for performing various activities…
Read More Scientists Discovered a New Protein Group that Serves Critical Function in Nature
AI | Bioinformatics | Drug Discovery | News | Paper Summary | Structural Biology | Tools | Trending
Virtual Screening of Ultra-Large Chemical Libraries Accelerated up to 100-Fold with Artificial Intelligence Enabled ‘Deep Docking’
BySwati Yadav February 9, 2022October 22, 2026
Deep Docking (DD) is artificial intelligence (AI) driven method that provides very economical yet highly reliable access to ultra-large docking. It was developed by Scientists at the University of British Columbia, Vancouver, to address the global lack of computational docking power and to enable structure-based screening of chemical libraries having billions of molecules without using…
Read More Virtual Screening of Ultra-Large Chemical Libraries Accelerated up to 100-Fold with Artificial Intelligence Enabled ‘Deep Docking’
Bioinformatics | Deep Learning | Drug Discovery | News | Paper Summary | Tools | Trending
HyperAttentionDTI: Combining Sequence-Based Deep Learning with an Attention Mechanism for Drug-Protein Interaction Prediction
BySwati Yadav February 1, 2022October 22, 2026
Researchers of Central South University, Changsha proposed an end-to-end bio-inspired model based on the convolutional neural network (CNN) and attention mechanism, named HyperAttentionDTI, for predicting drug-target interactions. In today’s world of biomedicine, drug discovery and repurposing are highly valued. Drug–target interactions (DTIs) are an essential part of drug discovery and repurposing. However, finding DTIs in…
Read More HyperAttentionDTI: Combining Sequence-Based Deep Learning with an Attention Mechanism for Drug-Protein Interaction Prediction
AI | Bioinformatics | Data Science | Drug Discovery | Machine Learning | News | Structural Biology
Deep Learning Based DNA and RNA Binding Sites Prediction for Accelerated Drug Discovery
ByDr. Tamanna Anwar January 14, 2022October 22, 2026
Targeting nucleic acid macromolecules, particularly RNA, for structure-based drug design (SBDD) is gaining research attention as it resulted in several FDA-approved compounds targeting RNA molecules. Scientists from Skoltech’s iMolecule group have created an artificial intelligence-driven approach, “BiteNetN,” to identify sites on the structures of DNA or RNA molecules where drug compounds may bind. The drug-binding…
Read More Deep Learning Based DNA and RNA Binding Sites Prediction for Accelerated Drug Discovery

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Drug Discovery

A Geometric Deep-Learning Model ‘EquiBind’ the Fastest Computational Molecular Docking Model

Scientists Revealed the Human Genetic Epidemiology of the COVID-19 Disease

Artificial Intelligence Based ‘Waste-to-Valuable’ Algorithm for Repurposing Chemical Wastes into Useful Drugs

Repurposing FDA Approved Asthma Drug to Block Crucial SARS-CoV-2 Protein

Benefits and Challenges of ‘One-Size-Fits-All’ Anti-Tuberculosis Treatment Strategies

Tiny Bacterial Nonribosomal Peptide Synthetases Could Aid in the Development of Novel Medicines

Simulating Directed Evolution With A New Computational Tool

Scientists Applied Machine Learning to Predict Therapeutic Response in Gastric Cancer

Scientists Discover How Superbugs Employ Mirror Images To Develop Antibiotic Resistance

Deep Learning Based DNA and RNA Binding Sites Prediction for Accelerated Drug Discovery

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