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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Molecular docking as a to" (30 stories)

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AI-guided competitive docking for virtual screening and compound efficacy prediction
Lead StoryNaturetech
Feb 16

AI-guided competitive docking for virtual screening and compound efficacy prediction

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE80VHZleHpac21RaDg2QXRoZkhTbUk1Vk1IdGk0aEdZcm1ZMGdWT0NsWmZ1WW4wZUFpVGxuQW1QeDRBVEZIZ3M0UkZrQWkwckp0RHd0OEJpc1dhVHlaemNz?oc=5" target="_blank">AI-guided competitive docking for virtual screening and compound efficacy prediction</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Molecular docking as a to"

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29 stories displayed
Network Pharmacology and Molecular Docking for Natural Product-Based Therapies in Gallbladder and Biliary Tract Cancers: Workflows, Pitfalls, and Translational Opportunities
The Cureus Journal of Medical Scienceworld

Network Pharmacology and Molecular Docking for Natural Product-Based Therapies in Gallbladder and Biliary Tract Cancers: Workflows, Pitfalls, and Translational Opportunities

<a href="https://news.google.com/rss/articles/CBMiswJBVV95cUxNY2xGTUdfdFhsTGVCa2Z6bE1UY2MyTEtJWHdGZFJKYVpzamRQOThpRmd4dl80SnNNVHFNUlNTSFBLSXFPc3luX200YzhrRkhsTGhhMC00ak1heVdvTXoxb01SdC0xNDREVzN4cnYtWDhfeTlkM2Rmanp5OE9hTVpFU0FiZmZXcEJtWWdVYnZtNTdCLXg3aEZZRXFwdnpVcGc4S2V5cng4NG9ZUEpnTUVUdzJkVDhyY21ORENJdjZOZVJhVkZ3Zk5scWxTMHhaQXhTMERqeVR5cTZmamxFY19zVkVtRGtkT214aGRPV3AtUFhzSVFWblpjOGpPOXJPY1BrSnVhdWdOOHRXM2ZIV3U4bmQtR3RlZUVGT1FlaXBfNEI5Nm9ycGwyZFF1WnhCZXNWY2dZ?oc=5" target="_blank">Network Pharmacology and Molecular Docking for Natural Product-Based Therapies in Gallbladder and Biliary Tract Cancers: Workflows, Pitfalls, and Translational Opportunities</a>  <font color="#6f6f6f">The Cureus Journal of Medical Science</font>

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A Review of Current Computational Tools for Peptide–Protein Docking
Wiley Online Librarygeneral

A Review of Current Computational Tools for Peptide–Protein Docking

<a href="https://news.google.com/rss/articles/CBMiakFVX3lxTE9mOWlCalk5eE9jMkxtNkpfRTNJYzM4dDdnNnpoTF9sSVh2dm5UU1JsQllmY21YYzFaYjdWSDA2RF9PV2xhZUNGQXBlVVJqZ2FQUGw4TjZFUmtmMTdwSWtkcVdUYVpqTC1SVGc?oc=5" target="_blank">A Review of Current Computational Tools for Peptide–Protein Docking</a>  <font color="#6f6f6f">Wiley Online Library</font>

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GC-MS guided phytochemical profiling of Bauhinia tomentosa flowers: molecular docking against HPV-E6 and p53 in cervical cancer
Naturetech

GC-MS guided phytochemical profiling of Bauhinia tomentosa flowers: molecular docking against HPV-E6 and p53 in cervical cancer

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1CazhDYzMxNFpqUERyWWlKbmNBZWxwRVJGQ1NfekFiQVVFZTBHV1QxVWJRS2RUb1ZEclJEZTJXdl9NTTVMTjRYTDNHelJLeTVzUzRiNW9Za3YxdVpuMDRr?oc=5" target="_blank">GC-MS guided phytochemical profiling of Bauhinia tomentosa flowers: molecular docking against HPV-E6 and p53 in cervical cancer</a>  <font color="#6f6f6f">Nature</font>

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Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations
Naturegeneral

Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE04bWtXaXhXZjM3OXdkUGNONWxOcDZ1eFktU1l1T0d2WkgxLUpzSV94U25XT1M3c0dZOS05MlkzeGR5b05LcV9CR2R4SjZnbWpzazQ5WVUzS0ZhcVp0QS1z?oc=5" target="_blank">Machine learning-assisted identification and validation of NRP1 inhibitors through molecular docking and dynamics simulations</a>  <font color="#6f6f6f">Nature</font>

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Probing the structure and molecular docking of a Cu(II)-glutamic acid complex as a metallodrug agent using spectroscopic, electrochemical and theoretical studies
Naturegeneral

Probing the structure and molecular docking of a Cu(II)-glutamic acid complex as a metallodrug agent using spectroscopic, electrochemical and theoretical studies

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1tSDN4NVlmZmFXSmk0MlpHX2pJOVhVR2lfeVZnSm5HUGFNdTBmRG1UdER4Q2FuaXlmbkV2V0Jpc1hvVUtuSzJ3RmxNcXJkQVBZZ2FuVHAyaXpZWGhOZEhZ?oc=5" target="_blank">Probing the structure and molecular docking of a Cu(II)-glutamic acid complex as a metallodrug agent using spectroscopic, electrochemical and theoretical studies</a>  <font color="#6f6f6f">Nature</font>

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Molecular docking, DFT analysis, pharmacokinetic profiling and MD simulation of Ilex aquifolium L. flavonoids as potential α-glucosidase predicted inhibitors for diabetes
Naturegeneral

Molecular docking, DFT analysis, pharmacokinetic profiling and MD simulation of Ilex aquifolium L. flavonoids as potential α-glucosidase predicted inhibitors for diabetes

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBmQmhQQkxXVDlvUkZUUUc4TmpVNlMwVFY1eFUyLXJraEZwTFJTVzlwMGtzYmc0Q19jZjhsMXJHUU1lNjR0SExZeUhDVXl2bUdYWEhUeFJVenE4MFYyZU1j?oc=5" target="_blank">Molecular docking, DFT analysis, pharmacokinetic profiling and MD simulation of Ilex aquifolium L. flavonoids as potential α-glucosidase predicted inhibitors for diabetes</a>  <font color="#6f6f6f">Nature</font>

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In silico prediction, molecular docking, and dynamics analysis of steroidal alkaloids from the genus Fritillaria : implications for designing novel antiparkinsonian therapeutic strategies
Naturegeneral

In silico prediction, molecular docking, and dynamics analysis of steroidal alkaloids from the genus Fritillaria : implications for designing novel antiparkinsonian therapeutic strategies

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1vWXVMdHdJWVJJeU9iTVRBdmxSUnh5X0lhdHRLVGNTNEpNV1hSWFJieVYxLTdTV01qQjVsMVEyTDBiUEgxQ3k4Z3AwbHc3Z2xBRmJDc3lmNE0xQlpHNk9N?oc=5" target="_blank">In silico prediction, molecular docking, and dynamics analysis of steroidal alkaloids from the genus Fritillaria : implications for designing novel antiparkinsonian therapeutic strategies</a>  <font color="#6f6f6f">Nature</font>

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Integrated DFT, molecular docking, and molecular dynamics investigation of some novel 2-thiohydantoin analogues as potent CDK2 inhibitors for anticancer therapy
Naturegeneral

Integrated DFT, molecular docking, and molecular dynamics investigation of some novel 2-thiohydantoin analogues as potent CDK2 inhibitors for anticancer therapy

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE82Y215bVlKa1owOTR5alpZejZqRHJ3RmYxV0pBNy1KLW9pSFlxYkxBVnZPVlJnci1hUE5oT2pydHU5ZkNQdVNib1l2UnRkWXk4dVNLUk1SQ3V1NkNZTExr?oc=5" target="_blank">Integrated DFT, molecular docking, and molecular dynamics investigation of some novel 2-thiohydantoin analogues as potent CDK2 inhibitors for anticancer therapy</a>  <font color="#6f6f6f">Nature</font>

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Molecular docking and dynamics reveal novel CDK6 inhibitors for targeted glioblastoma therapy
Naturegeneral

Molecular docking and dynamics reveal novel CDK6 inhibitors for targeted glioblastoma therapy

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBMUl9oQXJad2UxMlFqOGhYUTBSMzNOWTg0cDdZQndLNThUb0tfanFpMHVNN3RsN1JiYmI2Ti1zVTYyQUlQbk02VmtVYkQ1QjBpRWNsa056dnJ5bXZRMXhZ?oc=5" target="_blank">Molecular docking and dynamics reveal novel CDK6 inhibitors for targeted glioblastoma therapy</a>  <font color="#6f6f6f">Nature</font>

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In silico DFT, ADMET and molecular docking studies of novel coumarin-linked pyrazole and quinoline derivatives as antimicrobial and antioxidant agents
Naturegeneral

In silico DFT, ADMET and molecular docking studies of novel coumarin-linked pyrazole and quinoline derivatives as antimicrobial and antioxidant agents

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5aNWcwX1h3WXB5cXJZR1EyNW5NR2hneEUzRHJNMHJaa0NVd2NmTHVOdmwxYjVyVFM3cG4xQjhiQm9fNFduVjl0OFRVR0ZodHh3Yk16R2RQWTFWY0p6aFh3?oc=5" target="_blank">In silico DFT, ADMET and molecular docking studies of novel coumarin-linked pyrazole and quinoline derivatives as antimicrobial and antioxidant agents</a>  <font color="#6f6f6f">Nature</font>

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Synthesis, biological evaluation and molecular docking studies of N -propylsulfonyl indole-linked hydrazinecarbothioamides as selective ecto-5′-nucleotidase and NTPDase inhibitors
Naturegeneral

Synthesis, biological evaluation and molecular docking studies of N -propylsulfonyl indole-linked hydrazinecarbothioamides as selective ecto-5′-nucleotidase and NTPDase inhibitors

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1rU3pYS054dGEtajl1X2gzWUVob3A1NGVUMUZNbi0tWGtGeW9HZ2E2dmYteVBib3JmUkxMeVFjVGx0THlvZ3lSVXZYbC1yM2JibHdnY01jcE5zaHotQWQ4?oc=5" target="_blank">Synthesis, biological evaluation and molecular docking studies of N -propylsulfonyl indole-linked hydrazinecarbothioamides as selective ecto-5′-nucleotidase and NTPDase inhibitors</a>  <font color="#6f6f6f">Nature</font>

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Integration of gene expression analysis and molecular docking in revealing stress-responsive functions of potato chitinases | Scientific Reports
Natureworld

Integration of gene expression analysis and molecular docking in revealing stress-responsive functions of potato chitinases | Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1wV3QyaXdCalgyNXZlNDJhZTNZbWNsczVOY1FLN29hSlNzUEdQQjRzblpsMWpvTVVESjgzeHEwXzhfNjNwQzlPV3lqRWIzU01qekZVbjRIeS1wQ2tyb1I4?oc=5" target="_blank">Integration of gene expression analysis and molecular docking in revealing stress-responsive functions of potato chitinases | Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Synthesis, calf thymus DNA binding, in-vitro cytotoxicity, molecular docking, and antimicrobial studies of novel metal complexes containing a 2,3-diaminopyridine derivative Schiff base
Naturetech

Synthesis, calf thymus DNA binding, in-vitro cytotoxicity, molecular docking, and antimicrobial studies of novel metal complexes containing a 2,3-diaminopyridine derivative Schiff base

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE4xUjVwUUh0TDlEZVBpN3NickV1Y1lsLUM5ZXN1azNYTU85U3MxcXJDd09RV2R2ZHYwM3I4T1praktIU1lGM0hmVE4wMG53YXBDYjhTYXFvNVNHY09hVFFv?oc=5" target="_blank">Synthesis, calf thymus DNA binding, in-vitro cytotoxicity, molecular docking, and antimicrobial studies of novel metal complexes containing a 2,3-diaminopyridine derivative Schiff base</a>  <font color="#6f6f6f">Nature</font>

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Experimental and molecular docking analyses of antibacterial activity in moroccan Rosmarinus officinalis essential oil
Naturegeneral

Experimental and molecular docking analyses of antibacterial activity in moroccan Rosmarinus officinalis essential oil

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5POEFSNjN2S3FueTEwNTJJQ2RKb3psWXJTS3FEZklEU05SdjhqT203VGNjZDkwcFRZWWluZzBTRnBQd0RYV1F6aGpRM3U1eDVNLTdrREpJeFlNTVJONEQw?oc=5" target="_blank">Experimental and molecular docking analyses of antibacterial activity in moroccan Rosmarinus officinalis essential oil</a>  <font color="#6f6f6f">Nature</font>

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Integrative machine learning and molecular docking reveal Narirutin targets ABCC1/ABCG2 for immune microenvironment remodeling in colorectal cancer | Scientific Reports
Natureworld

Integrative machine learning and molecular docking reveal Narirutin targets ABCC1/ABCG2 for immune microenvironment remodeling in colorectal cancer | Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBxWTE1bkNMdExLRERFVkF0bDJVY2JMYnB2cmpHbl9SQjg5Q3A4dUUzMUszby1rNkM3cDlDUTEzWWRzNDJqQy1wV2dxT09oTFdCNGdNczctem85YXgta0Q0?oc=5" target="_blank">Integrative machine learning and molecular docking reveal Narirutin targets ABCC1/ABCG2 for immune microenvironment remodeling in colorectal cancer | Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Assessing the potential of deep learning for protein–ligand docking
Naturegeneral

Assessing the potential of deep learning for protein–ligand docking

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBNRDhQMWdHY1M3LUpTazh4Ylh3VVN5WVFhOEtXV3pVOEE2VUZOdjdMVlV4N2tYVVZuSGxzMmx6aEQ4dlNaRDN3YXpjS05GQ0diYmtQb3diTE1WbU91MVRv?oc=5" target="_blank">Assessing the potential of deep learning for protein–ligand docking</a>  <font color="#6f6f6f">Nature</font>

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Molecular docking and dynamic simulation of marine natural products from soft coral-derived microbes against SARS-CoV-2 main protease and spike protein | Scientific Reports
Naturetech

Molecular docking and dynamic simulation of marine natural products from soft coral-derived microbes against SARS-CoV-2 main protease and spike protein | Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE4tWEtoRUd5NlZJdnBDNUVkRTRtdnlhYXdsQWQxTnNCZ0kwaGNmY0lBcnhPZWlhdEEyeGpHMnpSNGdTMnRKRkNlcXZvbHNLeDQ3RDZvTzZqZm5qWEFNTzVB?oc=5" target="_blank">Molecular docking and dynamic simulation of marine natural products from soft coral-derived microbes against SARS-CoV-2 main protease and spike protein | Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Antimicrobial, antibiofilm, antioxidant activities and molecular docking of Schiff base and its complexes of Cu(II), Co(II), Ni(II), Mn(II) and UO2(II) | Scientific Reports
Naturegeneral

Antimicrobial, antibiofilm, antioxidant activities and molecular docking of Schiff base and its complexes of Cu(II), Co(II), Ni(II), Mn(II) and UO2(II) | Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9wcjJBRUF6NnRDanFiUUdBQlE2clg2WmNndUcwM3djMG5ZRy1HeVU3UzdtbkoxRDJhOVlzWlgteV8tTWhuUW5BMi1xV2Rub1ZFelpIRS1VYXcza0lYLXpv?oc=5" target="_blank">Antimicrobial, antibiofilm, antioxidant activities and molecular docking of Schiff base and its complexes of Cu(II), Co(II), Ni(II), Mn(II) and UO2(II) | Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Synthesis, antimicrobial evaluation, molecular docking, and drug-likeness assessment of novel phenothiazine chromene hybrid compounds
Natureworld

Synthesis, antimicrobial evaluation, molecular docking, and drug-likeness assessment of novel phenothiazine chromene hybrid compounds

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE4zMlR1Y0R3dHQwc01RMHcyYU14aldUV0pKbjJIMW1DREVZZHFyUmtON1VHRmZwTTBFQ1BBMFdNNUdxTXZQY28telpNZFpHSDRlSUo0Z2cwUXdzcTIyRUs4?oc=5" target="_blank">Synthesis, antimicrobial evaluation, molecular docking, and drug-likeness assessment of novel phenothiazine chromene hybrid compounds</a>  <font color="#6f6f6f">Nature</font>

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Validation, quantification, and molecular docking of isolated eupalitin 3-O-β-D-galactopyranoside in Boerhavia diffusa Linn for hepatoprotective and immunomodulatory activity
Natureworld

Validation, quantification, and molecular docking of isolated eupalitin 3-O-β-D-galactopyranoside in Boerhavia diffusa Linn for hepatoprotective and immunomodulatory activity

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBqY0Y3em5CSkpKejhUVVExUll6TG9zUkJpX0ZETmRFN1hTLVFCTUxsc05oVnJ5NUFFeXQ4SVpRZnhvWFZsZXRoZGdkRnBRQkNscWdVRXhpNHJXMWVDUTgw?oc=5" target="_blank">Validation, quantification, and molecular docking of isolated eupalitin 3-O-β-D-galactopyranoside in Boerhavia diffusa Linn for hepatoprotective and immunomodulatory activity</a>  <font color="#6f6f6f">Nature</font>

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Synthesis, molecular docking, ADMET studies and biological evaluation of fused pyrazolopyridopyrimidine derivatives as antioxidant and antimicrobial agents
Naturegeneral

Synthesis, molecular docking, ADMET studies and biological evaluation of fused pyrazolopyridopyrimidine derivatives as antioxidant and antimicrobial agents

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFB3R2lUS3N0bXlHV2RlSHBLWFY4NGtwOGIzcE4wT0FXclhyTGlzTm9MZU1yak5NVjN6MXV1UFMxSHpYd3J1OHVBSUlkd2hmMWIxNVozR05tV1Q5dEpfRlkw?oc=5" target="_blank">Synthesis, molecular docking, ADMET studies and biological evaluation of fused pyrazolopyridopyrimidine derivatives as antioxidant and antimicrobial agents</a>  <font color="#6f6f6f">Nature</font>

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Integrating machine learning and molecular docking to elucidate the mechanism of atrial fibrillation induced by di(2-ethylhexyl) phthalate
Naturegeneral

Integrating machine learning and molecular docking to elucidate the mechanism of atrial fibrillation induced by di(2-ethylhexyl) phthalate

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE51a295SlpoaU5kWUlWVTZzVzNTdEJOcFdPNHhxekMyU0RGREhscklITUJzYTNzTm5pTzN6aFl5SG5oRklGTnRaeWhuZTRUN05vSjR0RDhRaGZnZ1lrd2lj?oc=5" target="_blank">Integrating machine learning and molecular docking to elucidate the mechanism of atrial fibrillation induced by di(2-ethylhexyl) phthalate</a>  <font color="#6f6f6f">Nature</font>

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Network pharmacology and molecular docking reveal mechanisms of amiodarone-induced pulmonary fibrosis
Naturegeneral

Network pharmacology and molecular docking reveal mechanisms of amiodarone-induced pulmonary fibrosis

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBRU0ZGU0ZWNnpfeHVfTmVOSnJza1lFSi1tODJfNGd0Rmt3eHpmRHRNUnhlM012dW5YOUJwUlROSDljd1RsY1pFU3otaDlFWEtMOGFaWkhNX08yd3V3R3lZ?oc=5" target="_blank">Network pharmacology and molecular docking reveal mechanisms of amiodarone-induced pulmonary fibrosis</a>  <font color="#6f6f6f">Nature</font>

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Tailoring, spectroscopic, DFT, solvatochromic, antitumor, and molecular docking studies of new polynuclear Cu(II)-hydrazone complexes
Naturetech

Tailoring, spectroscopic, DFT, solvatochromic, antitumor, and molecular docking studies of new polynuclear Cu(II)-hydrazone complexes

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBXZ1FYWVBzTklTcEJzUTJ6LWtGUV9TcTRfNHZ3bXR4cnh2SV9EeW9HcWVYanptdF93VUlIampGb0swVUhYRVhoVUN5YWtKYlpjcEZyblBBampWXzVfSEdz?oc=5" target="_blank">Tailoring, spectroscopic, DFT, solvatochromic, antitumor, and molecular docking studies of new polynuclear Cu(II)-hydrazone complexes</a>  <font color="#6f6f6f">Nature</font>

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Identification of potential natural analgesic compounds through molecular docking-virtual screening, molecular dynamics simulation, MM/GBSA, DFT, and ADMET computations
Natureworld

Identification of potential natural analgesic compounds through molecular docking-virtual screening, molecular dynamics simulation, MM/GBSA, DFT, and ADMET computations

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBFUUpiRGhOUnNUeG94amhLS2ZjbnBjYXBRSG4zckZ1dTdtQkFuS1Q0aElzakk0THBEZ25YaFNpeHY0amJTTlNSM1AwS1lqekNDSUY5UXRZSkJ2UktxSHNR?oc=5" target="_blank">Identification of potential natural analgesic compounds through molecular docking-virtual screening, molecular dynamics simulation, MM/GBSA, DFT, and ADMET computations</a>  <font color="#6f6f6f">Nature</font>

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Computational discovery of SARS-CoV-2 viral entry inhibitory peptides from Androctonus mauretanicus scorpion venom: molecular docking and molecular dynamics simulations targeting the spike protein
Frontiersgeneral

Computational discovery of SARS-CoV-2 viral entry inhibitory peptides from Androctonus mauretanicus scorpion venom: molecular docking and molecular dynamics simulations targeting the spike protein

<a href="https://news.google.com/rss/articles/CBMilwFBVV95cUxQaEpGZEx1UEhBV3ZIX0dKcDBlN2s2bnpkTnZEbEFQZWhhRVM2N0ZJWGppNlUyY0J2dmtNa1EzY2x0UnhfOUhkY1VnaEJsYmxQY21NdWNwa20yaFlxZjNFTEpOUlBuM1A4cV9hZFNDV0MxdE1QeHU5ZU1BaXZFQktjYldZRGdJWFJIbmRlRUR6blgweHd3MTIw?oc=5" target="_blank">Computational discovery of SARS-CoV-2 viral entry inhibitory peptides from Androctonus mauretanicus scorpion venom: molecular docking and molecular dynamics simulations targeting the spike protein</a>  <font color="#6f6f6f">Frontiers</font>

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Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand
Naturegeneral

Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1QUTZfTGdNU0lkbGdQR1AwS1lkUXFCUl81VDlQZ0xTLUdOcXlpbHA3QWl3cFJVM3VobTB5and6VnBUUzdhMXBncC1qVFNiNzFLdG5YZzB2Z2JEN1I4VzhF?oc=5" target="_blank">Design, biological evaluation, solvatochromic, DFT, and molecular docking studies of new metal complexes derived from a semicarbazone ligand</a>  <font color="#6f6f6f">Nature</font>

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Design, synthesis, characterization, pharmacological evaluation and in silico ADMET and molecular docking and dynamics simulations of a novel series of N-substituted pyrazole from chalcone derivatives | Scientific Reports
Naturegeneral

Design, synthesis, characterization, pharmacological evaluation and in silico ADMET and molecular docking and dynamics simulations of a novel series of N-substituted pyrazole from chalcone derivatives | Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1lcl9Hd1NlUmJKeDduRFp5TnpqTVoxeUZFT2t4dmpTV3ZPNmFVdVhfLWRaLXpZRU44VFpJUV9zTzVabnpfdnM0NHhaZW82OVNPME5zZW5XYXhIdkdhdlNr?oc=5" target="_blank">Design, synthesis, characterization, pharmacological evaluation and in silico ADMET and molecular docking and dynamics simulations of a novel series of N-substituted pyrazole from chalcone derivatives | Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Anticancer potential of Dendrocnide meyeniana through phytochemical profiling, ADMET analysis, molecular docking, and in silico cytotoxicity evaluation
Naturegeneral

Anticancer potential of Dendrocnide meyeniana through phytochemical profiling, ADMET analysis, molecular docking, and in silico cytotoxicity evaluation

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1nT0FqaHNGaW9oVWk4STYxd3Z4ZjcxaVo3c2lwWUdrOEpjNFI4Y0x6MHhJcjJhbmJMMVFFcXlXMlFSb0V5Vllabm9ldzFFUjRfakFfVE9zS0dGdFNhazBB?oc=5" target="_blank">Anticancer potential of Dendrocnide meyeniana through phytochemical profiling, ADMET analysis, molecular docking, and in silico cytotoxicity evaluation</a>  <font color="#6f6f6f">Nature</font>

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