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Recent advances from computer-aided drug design to artificial intelligence drug design

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00522H, Review Article
Keran Wang, Yanwen Huang, Yan Wang, Qidong You, Lei Wang
CADD and AIDD contribute to the drug discovery.
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Ligand-centred phenotype-driven development of potent kinase inhibitors against oesophageal cancer

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00579A, Research Article
Open Access
Cecilia C. Ayala-Aguilera, Yang Ge, Álvaro Lorente-Macías, Benjamin N. Jones, Catherine Adam, Neil O. Carragher, Asier Unciti-Broceta
A ligand-centred strategy combined with phenotypic screening was used to develop novel antiproliferative inhibitors against oesophageal cancer and identified a lead compound that induces potent anticancer activity and inhibits Aurora kinase A.
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S-MGBs bearing amidine tail groups are potent, selective antiplasmodial agents

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00619D, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Marina Perieteanu, Tayner Rodriguez Garzon, Leah M. C. McGee, Abedawn I. Khalaf, Colin J. Suckling, Rebecca Beveridge, Vicky M. Avery, Fraser J. Scott
25 S-MGBs, including those bearing an amidine tail group, were investigated for their antiplasmodial, in vitro activity against 3D7 and Dd2 strains of P. falciparum. Several potent, and selective, hit compounds were identified.
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Advances in antibacterial agents for Mycobacterium fortuitum

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00508B, Review Article
Carlos Roberto Tavolari Jortieke, Angélica Rocha Joaquim, Fernando Fumagalli
This review presents the recent findings on antibacterial agents against Mycobacterium fortuitum and reveals the most promising and effective chemical frameworks to inspire the development of new drugs.
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Design, synthesis, and biological evaluation of pyrazole–ciprofloxacin hybrids as antibacterial and antibiofilm agents against Staphylococcus aureus

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00623B, Research Article
Ojaswitha Ommi, Priyanka Sudhir Dhopat, Shashikanta Sau, Madhu Rekha Estharla, Srinivas Nanduri, Nitin Pal Kalia, Venkata Madhavi Yaddanapudi
A series of pyrazole–ciprofloxacin hybrids were designed, synthesized, and tested for antibacterial activity against Staphylococcus aureus, Pseudomonas aeruginosa, and Mycobacterium tuberculosis, aiming to combat antibiotic resistance.
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Enhancing the antimycobacterial efficacy of pyridine-4-carbohydrazide: linkage to additional antimicrobial agents via oxocarboxylic acids

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00663A, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Václav Pflégr, Klára Konečná, Jiřina Stolaříková, Jan Ősterreicher, Ondřej Janďourek, Martin Krátký
Linking pyridine-4-carbohydrazide to other antimicrobial agents via oxocarboxylic acids significantly enhances efficacy against mycobacteria with promising selectivity and safety profiles.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Generation and capture of naphthoquinonynes: a new frontier in the development of trypanocidal quinones via aryne chemistry

RSC Med. Chem., 2024, Advance Article
DOI: 10.1039/D4MD00558A, Research Article
Laura P. R. Figueroa, Renato L. de Carvalho, Renata G. Almeida, Esther R. S. Paz, Emilay B. T. Diogo, Maria H. Araujo, Warley S. Borges, Victor F. S. Ramos, Rubem F. S. Menna-Barreto, James M. Wood, John F. Bower, Eufrânio N. da Silva Júnior
This article presents A-ring functionalized quinones via a modern and efficient new strategy involving the generation and capture of benzyne quinones and their evaluation against Trypanosoma cruzi.
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SIGMAP: an explainable artificial intelligence tool for SIGMA-1 receptor affinity Prediction

RSC Med. Chem., 2024, Accepted Manuscript
DOI: 10.1039/D4MD00722K, Research Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Maria Cristina Lomuscio, Nicola Corriero, Vittoria Nanna, Antonio Piccinno, Michele Saviano, Rosa Lanzilotti, Carmen Abate, Domenico Alberga, Giuseppe Felice Mangiatordi
Developing sigma-1 receptor (S1R) modulators is considered a valuable therapeutic strategy to counteract neurodegeneration, cancer progression, and viral infections, including COVID-19. In this context, in-silico tools capable of accurately predicting...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Four schools and a college in Tiruchi receive hoax bomb threats

Three schools declared a holiday on Tuesday as a precautionary measure




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Changes in train services notified due to demolition of old bridge near Tiruchi junction




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Will decide on sharing stage with actor Vijay in consultation with VCK leaders: Thirumavalavan

Mr. Thirumavalavan told reporters in Tiruchi that the book release event was not something that was planned recently, and that he had consented to take part in it almost a year ago




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Paddy crop loss compensation pegged at ₹36,500




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Govt. urged to extend last date to pay crop insurance premium by farmers




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Fishermen seek healthcare and cold storage facilities




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NTK chief Seeman booked for alleged ‘derogatory remarks’ against Karunanidhi




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Uppiliyapuram, gateway to scenic Pachamalai, lacks bus stand with passengers left to fight the elements

Buses stop at a busy junction making it difficult for commuters as well as local businessmen; a site is yet to be identified for the bus stand




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Advanced baggage handling system introduced in Tiruchi airport




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Lack of signboards indicating bus timings at Chathiram Bus Stand in Tiruchi irks passengers

Passengers also say some buses leave earlier than scheduled or don’t pass certain rural areas, leading to schoolchildren not being able to board on time




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557: ChatGPT, Conferences, Fidgets on the Web, and Modern CSS in Real Life

When will AI be able to tell you the risk / reward of cleaning up trees? Are conferences back? Bringing fidgets to the web, internet as an anxiety machine, and Chris is working on talk on modern CSS in real life.




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559: Fidget Apps, Coding with AI, Dialog Element Navs, Getting Rid of CSS

Is there still any value in specializing in front-of-the-frontend dev? Would you ever use the dialog element for a mobile navigation? Why did CodePen decide to use Go for its GraphQL server?




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563: Getting Pulled by the Algorithm, AI Training Data, and SVG Drawing

There's a special guest on the show who takes aim at the billionaires in web dev, do we know better than the algorithm for news, why is AI training data such a secret, Chris and Dave discover JetBrains, monorepo struggles, and SVG drawing tools.




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565: The Hurdy-Gurdy, OKLCH, Edge Dev Tools, and Ad Blocking

Dave doesn't hate the hurdy-gurdy, but it's creation is an interesting parallel to software development. OKLCH follow up, @media, Edge drops new dev tools, CSS and Astro theming, JavaScript devs discover PHP, how many people block ads, and accessibility and grids.




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571: Searching vs AI, Getting Designers to Play Nice, and Web Components

Do you listen at 2x? Do Chris and Dave sound weird at normal speed IRL? How searching compares to using AI, chatbots kind of suck at context, getting a designer to work with developers at an agency, what happened to content visibility, and how to best build a design system using web components.




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575: CSS Errors, Proxy and Reverse Proxy, and What’s The Edge?

Bluesky adds first class support for urls as a username, text-wrap pretty update, sqwunching text update, should CSS spit out errors, anchor functionality, what does the edge mean, eSports and bowling, how to test websites on slower CPUs, and what does proxy or reverse proxy mean?




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576: Blocks, Components, Linting Images, Engines, and “Web Integrity”

We're talking how we stay online - or not - on vacation, is create-guten-block the future for us WP developers? Can we get a state of the web component address from the President of web components? Have we seen the last new browser engine? And deciding whether to add features or remove them from your app.




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583: Language Models, AI, and Digital Gardens with Maggie Appleton

Maggie Appleton talks with us about her work at Elicit, working with large and small language models, how humans vet the responses from AI, the discussion around the Soggoth meme in AI, using Discord as UI, what to do if your boss wants AI in your app, and why does she call her blog a digital garden?




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584: Community, Partnerships, Images, and Astro with Fred K. Schott

Fred K. Schott stops by to talk about building community, open source and sponsorship, building on partnerships in the dev community, WordPress + Astro, view transitions, using Discord for support, and leaking secret Astro Studio details.




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622: Website Rendering, Updating Software, and Edge Gets Faster

We're talking website rendering, server side rendering, Astro's server islands, perf hits for navigation elements, updating software because the docs aren't available for older versions, and a new Microsoft Edge was released.




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626: We Were Wrong and Keep Getting in Trouble

Chris has some follow up on blog posts and past podcast episodes to respond to including browsers and browser engines, advertising on the web, magazines, Cara, peak AI slop, and view transitions.




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627: Getting Comfortable with the Struggle and Vibe Driven Development

Chris brings some blog posts to talk about including being comfortable with the struggle of developer life, Cloudflare Workers + monorepos, vibe driven development, and questions about database migrations, and whether we think AI free blogs are going to be a rarity in the future?




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641: Passkey Usage, Writing Code with a Bot, and What’s Up With Java?

We've got a few leftovers from Halloween to process, what's been happening with Passkeys in late 2024, have you tried to write HTML faster than a bot can suggest it to you, CSS anchor positioning and popover polyfills, scroll driven animation thoughts, CSS nesting, and what's the reason for Java?




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Can Chennai change its energy consumption patterns?

In creating energy-efficient cities, India will do well to model its development on its own age-old techniques, says Durganand Balsavar




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Change and culture

We can’t just adopt renewable energy models imported from Europe. Any change has to address Chennai’s unique cultural and economic baggage




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Geyser era

Exploring alternatives is mandatory if we want a greener future.




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Unsuccessful malls on the verge of closure

Poor management practices have resulted in many malls across the country becoming unviable spaces.




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The management of sludge

There is a need for building bye-laws to insist on a range of on-plot sanitation as mandatory, depending on the location and the groundwater table.




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Challenges on the water front

Weather anomalies, pollution, mindless exploitation… the problems are many but solutions are available.




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Cold plunges, hot saunas, smoothies, and fasting

Fitness regimen on the go




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Carbon credits to boost incomes of Jharkhand village farmers 

The Birsa Harit Gram project serves as a potential model for agro-forestry, which is gaining ground because the buyers of carbon credits prefer — pay a premium — for credits based on Nature Based Solution, as opposed to offsetting projects like renewable energy or projects like carbon capture.




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ITC wants a bigger FMCG slice

The Sanjiv Puri-led group looks set to feed on the success of its brand extension strategy




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Idukki project leapfrogs ‘endangered’ list

Local enthusiasts pitch in to bring amphibian species back from the brink of extinction




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Flat organisation believers: Can you imagine a world without managers?

What does a manager do that we keep hiring new ones or keep promoting more of them? Which managerial layer is the most important?




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New venture Zerofifty from ad veterans wants to simplify the agency model

ZeroFifty Mediaworks, set up by three ad veterans, wants to bring in Bandra vibes into the agency model




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Brand expertise and heritage bubbling in a moka pot

Lessons from European brands that have won consumers’ mindspace for long years




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Galathea Bay: New major port can be game changer

Transshipment port at Galathea Bay is strategically located on the East-West international trade and shipping route




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Getting the gig economy to care for its backbone

Why startups in India cannot afford to take a hands-off approach towards the armies of gig workers they have created




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Lure of emergent tech ventures

Venture Catalysts backs startups that come with unique solutions and first-mover advantages




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Why peer-to-peer lending has RBI on edge

Forced to drop many of its attractive features, peer-to-peer lending faces an existential crisis in India




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₹200-crore decentralised green hydrogen scheme 

Decentralised use of green hydrogen could include cooking, off-grid electricity generation




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Delhi women to get monthly stipend of ₹1,000 soon: Kejriwal