Search Results - "Molecular diversity"

Artificial intelligence to deep learning: machine intelligence approach for drug discovery by Gupta, Rohan, Srivastava, Devesh, Sahu, Mehar, Tiwari, Swati, Ambasta, Rashmi K., Kumar, Pravir

“…Drug designing and development is an important area of research for pharmaceutical companies and chemical scientists. However, low efficacy, off-target…”
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Therapeutic potential of pyrrole and pyrrolidine analogs: an update by Jeelan Basha, N., Basavarajaiah, S. M., Shyamsunder, K.

“…The chemistry of nitrogen-containing heterocyclic compound pyrrole and pyrrolidine has been a versatile field of study for a long time for its diverse…”
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Molecular diversity of spirooxindoles. Synthesis and biological activity by Pavlovska, Tetyana L., Redkin, Ruslan Gr, Lipson, Victoria V., Atamanuk, Dmytro V.

“…Spirooxindoles are important synthetic targets possessing extended biological activity and drug discovery applications. This review focuses on the various…”
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Cytotoxic effect, enzyme inhibition, and in silico studies of some novel N-substituted sulfonyl amides incorporating 1,3,4-oxadiazol structural motif by Güleç, Özcan, Türkeş, Cüneyt, Arslan, Mustafa, Demir, Yeliz, Yeni, Yeşim, Hacımüftüoğlu, Ahmet, Ereminsoy, Ergün, Küfrevioğlu, Ömer İrfan, Beydemir, Şükrü

“…The acetylcholinesterase and carbonic anhydrase inhibitors (AChEIs and h CAIs) remain key therapeutic agents for many bioactivities such as anti-Alzheimer and…”
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First report of q-RASAR modeling toward an approach of easy interpretability and efficient transferability by Banerjee, Arkaprava, Roy, Kunal

“…Quantitative structure–activity relationship (QSAR) and read-across techniques have recently been merged into a new emerging field of read-across…”
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Identification of 5-nitroindazole as a multitargeted inhibitor for CDK and transferase kinase in lung cancer: a multisampling algorithm-based structural study by Ahmad, Shaban, Raza, Khalid

“…Lung cancer is the second most common cancer, which is the leading cause of cancer death worldwide. The FDA has approved almost 100 drugs against lung cancer,…”
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Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries by Selvaraj, Chandrabose, Chandra, Ishwar, Singh, Sanjeev Kumar

“…The global spread of COVID-19 has raised the importance of pharmaceutical drug development as intractable and hot research. Developing new drug molecules to…”
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Novel bis-ureido-substituted sulfaguanidines and sulfisoxazoles as carbonic anhydrase and acetylcholinesterase inhibitors by Lolak, Nebih, Akocak, Süleyman, Durgun, Mustafa, Duran, Hatice Esra, Necip, Adem, Türkeş, Cüneyt, Işık, Mesut, Beydemir, Şükrü

“…To discover alternative substances to compounds used to treat many diseases, especially treating Alzheimer’s disease (AD) and Parkinson’s disease targeting…”
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New organosulfur metallic compounds as potent drugs: synthesis, molecular modeling, spectral, antimicrobial, drug likeness and DFT analysis by Hassan, Abrar Ul, Sumrra, Sajjad Hussain, Zafar, Muhammad Nadeem, Nazar, Muhammad Faizan, Mughal, Ehsan Ullah, Zafar, Muhammad Naveed, Iqbal, Mazhar

“…During the present investigation, two new sulfonamide-based Schiff base ligands,…”
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Synthesis and characterization of novel acyl hydrazones derived from vanillin as potential aldose reductase inhibitors by Demir, Yeliz, Tokalı, Feyzi Sinan, Kalay, Erbay, Türkeş, Cüneyt, Tokalı, Pelin, Aslan, Osman Nuri, Şendil, Kıvılcım, Beydemir, Şükrü

“…In the polyol pathway, aldose reductase (AR) catalyzes the formation of sorbitol from glucose. In order to detoxify some dangerous aldehydes, AR is essential…”
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Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization, molecular docking and molecular dynamics simulation by Das, Sanjib Kumar, Mahanta, Saurov, Tanti, Bhaben, Tag, Hui, Hui, Pallabi Kalita

“…The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The…”
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A patent review on efficient strategies for the total synthesis of pazopanib, regorafenib and lenvatinib as novel anti-angiogenesis receptor tyrosine kinase inhibitors for cancer therapy by Shiri, Pezhman, Ramezanpour, Sorour, Amani, Ali Mohammad, Dehaen, Wim

“…Angiogenesis is an important and interesting scientific subject in the area of malignant tumours. Current research importance and interest are directed in…”
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A review on synthetic account of 1,2,4-oxadiazoles as anti-infective agents by Dhameliya, Tejas M., Chudasma, Shrddhaba J., Patel, Tanvi M., Dave, Bhavarth P.

“…Most of the currently marketed drugs consist of heterocyclic scaffolds containing nitrogen and or oxygen as heteroatoms in their structures. Several research…”
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Amentoflavone derivatives significantly act towards the main protease (3CLPRO/MPRO) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacology by Dey, Dipta, Hossain, Rajib, Biswas, Partha, Paul, Priyanka, Islam, Md. Aminul, Ema, Tanzila Ismail, Gain, Bibhuti Kumar, Hasan, Mohammad Mehedi, Bibi, Shabana, Islam, Muhammad Torequl, Rahman, Md. Ataur, Kim, Bonglee

“…SARS-CoV-2 is the foremost culprit of the novel coronavirus disease 2019 (nCoV-19 and/or simply COVID-19) and poses a threat to the continued life of humans on…”
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Cross-coupling reactions towards the synthesis of natural products by Tabassum, Shaheera, Zahoor, Ameer Fawad, Ahmad, Sajjad, Noreen, Razia, Khan, Samreen Gul, Ahmad, Hamad

“…Cross-coupling reactions are powerful synthetic tools for the formation of remarkable building blocks of many naturally occurring molecules, polymers and…”
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Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation by Gogoi, Bhaskarjyoti, Chowdhury, Purvita, Goswami, Nabajyoti, Gogoi, Neelutpal, Naiya, Tufan, Chetia, Pankaj, Mahanta, Saurov, Chetia, Dipak, Tanti, Bhaben, Borah, Probodh, Handique, Pratap Jyoti

“…The Coronavirus disease 2019 (COVID-19), caused by the novel coronavirus, SARS-CoV-2, has recently emerged as a pandemic. Here, an attempt has been made…”
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Recent trends in the chemistry of Sandmeyer reaction: a review by Akhtar, Rabia, Zahoor, Ameer Fawad, Rasool, Nasir, Ahmad, Matloob, Ali, Kulsoom Ghulam

“…Metal-catalyzed reactions play a vital part to construct a variety of pharmaceutically important scaffolds from past few decades. To carry out these reactions…”
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Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach by Kanhed, Ashish M., Patel, Dushyant V., Teli, Divya M., Patel, Nirav R., Chhabria, Mahesh T., Yadav, Mange Ram

“…The Co rona vi rus D isease (COVID-19) is caused because of novel coronavirus (SARS-CoV-2) pathogen detected in China for the first time, and from there it…”
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Synthetic applications and methodology development of Chan–Lam coupling: a review by Munir, Iqra, Zahoor, Ameer Fawad, Rasool, Nasir, Naqvi, Syed Ali Raza, Zia, Khalid Mahmood, Ahmad, Raheel

“…Chan–Lam coupling is one of the most popular and easy methods to perform arylation of amines ( N -arylations). This cross-coupling is generally performed by…”
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Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19 by Joshi, Tanuja, Sharma, Priyanka, Joshi, Tushar, Pundir, Hemlata, Mathpal, Shalini, Chandra, Subhash

“…The outbreak of SARS-CoV-2 and deaths caused by it all over the world have imposed great concern on the scientific community to develop potential drugs to…”
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