An article 4-Aryl-1,4-Dihydropyridines as Potential Enoyl-Acyl Carrier Protein Reductase Inhibitors: Antitubercular Activity and Molecular Docking Study WOS:000629032900004 published article about BINDING MODE ANALYSIS; DIHYDROPYRIDINE DERIVATIVES; ANTIMOSQUITO PROPERTIES; MULTIDRUG-RESISTANT; LARVICIDAL ACTIVITY; INHA INHIBITORS; DESIGN; 1,4-DIHYDROPYRIDINES; POLYMORPHISM; DISCOVERY in [Venugopala, Katharigatta N.; Morsy, Mohamed A.; Aldhubiab, Bandar E.; Attimarad, Mahesh; Nair, Anroop B.; Sreeharsha, Nagaraja] King Faisal Univ, Coll Clin Pharm, Dept Pharmaceut Sci, Al Hasa 31982, Saudi Arabia; [Venugopala, Katharigatta N.; Mohanlall, Viresh] Durban Univ Technol, Dept Biotechnol & Food Technol, ZA-4001 Durban, South Africa; [Deb, Pran Kishore] Philadelphia Univ, Fac Pharm, Dept Pharmaceut Sci, Amman 19392, Jordan; [Pillay, Melendhran] Inkosi Albert Luthuli Cent Hosp, Dept Microbiol, Natl Hlth Lab Serv, KZN Acad Complex, ZA-4001 Durban, South Africa; [Chopra, Deepak] Indian Inst Sci Educ & Res Bhopal, Dept Chem, Bhopal By Pass Rd, Bhopal 462066, Madhya Pradesh, India; [Chandrashekharappa, Sandeep] GKVK, Inst Stem Cell Biol & Regenerat Med, TIFR, NCBS, Bangalore 560065, Karnataka, India; [Morsy, Mohamed A.] Menia Univ, Fac Med, Dept Pharmacol, El Minia 61511, Egypt; [Sreeharsha, Nagaraja] Vidya Siri Coll Pharm, Dept Pharmaceut, Off Sarjapura Rd, Bengaluru 560035, India; [Kandeel, Mahmoud] King Faisal Univ, Coll Vet Medi Cine, Dept Biomed Sci, Al Hasa 31982, Saudi Arabia; [Kandeel, Mahmoud] Kafrelsheikh Univ, Fac Vet Med, Dept Pharmacol, Kafrelsheikh 33516, Egypt; [Venugopala, Rashmi] Univ KwaZulu Natal, Dept Publ Hlth Med, Howard Coll Campus, ZA-4001 Durban, South Africa in 2021, Cited 93. The Name is (4-Methoxyphenyl)methanol. Through research, I have a further understanding and discovery of 105-13-5. Formula: C8H10O2
Background: Tuberculosis remains one of the most deadly infectious diseases worldwide due to the emergence of multi-drug resistance (MDR) and extensively drug resistance (XDR) strains of Mycobacterium tuberculosis (MTB). Aims: Currently, available drugs are getting resistant and toxic. Hence, there is an urgent need for the development of potent molecules to treat tuberculosis. Materials and Methods: Herein, the screening of a total of eight symmetrical 1,4-dihydropyridine (1,4-DHP) derivatives (4a-4h) was carried out for whole-cell anti-TB activity against the susceptible H37Rv and MDR strains of MTB. Results and Discussion: Most of the compounds exhibited moderate to excellent activity against the susceptible H37Rv. Moreover, the most promising compound 4f (against H37Rv) having para-trifluoromethyl phenyl group at 4-position and bis para-methoxy benzyl ester group at 3- and 5-positions of 1,4- dihydropyridine pharmacophore, exhibited no toxicity, but demonstrated weak activity against MTB strains resistant to isoniazid and rifampicin. In light of the inhibitory profile of the title compounds, enoyl-acyl carrier protein reductase (InhA) appeared to be the appropriate molecular target. A docking study of these derivatives against InhA receptor revealed favorable binding interactions. Further, in silico predicted ADME properties of these compounds 4a-4h were found to be in the acceptable ranges, including satisfactory Lipinski’s rule of five, thereby indicating their potential as drug-like molecules. Conclusion: In particular, the 1,4-DHP derivative 4f can be considered an attractive lead molecule for further exploration and development of more potent anti-TB agents as InhA inhibitors.
Formula: C8H10O2. About (4-Methoxyphenyl)methanol, If you have any questions, you can contact Venugopala, KN; Deb, PK; Pillay, M; Chopra, D; Chandrashekharappa, S; Morsy, MA; Aldhubiab, BE; Attimarad, M; Nair, AB; Sreeharsha, N; Kandeel, M; Venugopala, R; Mohanlall, V or concate me.
Reference:
Alcohol – Wikipedia,
,Alcohols – Chemistry LibreTexts